VMD-L Mailing List
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About this archive
Starting: Thu Dec 19 1996 - 11:40:41 CST
Ending: Thu Apr 17 2025 - 01:02:05 CDT
- ! Obtain degrees from Prestigious non-accredite dUniversities
- "'Hands-on" Workshop on Computational Biophysics at Pittsburgh, PA, May 21-25, 2018
- "adding polymer to CNT"
- "animate readdel"? (was: multiple automated calls to NAMD)
- "atomsel: set: bad data in 0th element" ffTK
- "can not find channel named ...
- "cartoon" failing to show secondary structure
- "cartoon" failing to show secondary structure--more info
- "color by mass" - change default colors
- "Determine file type" list is far too long...
- "Distributed Cavelib" VMD port
- "Draw" different things in different frames
- "Dynamic" gofr
- "Error: no indices found in file." in carma.indices using NetworkView
- "get {x y z}" returns single value
- "graphics top line" and "render POV3"
- "Hands-On" Workshop on Computational Biophysics
- "Hands-on" Workshop on Computational Biophysics at Lake Tahoe, August 4-8, 2014
- "Hands-On" Workshop on Computational Biophysics, July 6-10 and August 10-14, 2009
- "Hands-On" Workshop on Computational Biophysics, March 21-25, 2011, Atlanta, GA, USA
- "Hands-On" Workshop on Computational Biophysics, November 1-5, 2010 & November 29-December 3, 2010 in Urbana, IL
- "Hands-on" Workshop on Enhanced Sampling and Free-Energy Calculation at Urbana, IL
- "Hands-on" Workshop on Enhanced Sampling and Free-Energy Calculation at Urbana, IL, September 10-14, 2018
- "Hands-On" Workshop on QM/MM Simulations at Urbana, IL, April 5-7, 2018
- "Jump" in Energy and Volume graphs of my MD
- "Lines" representation does not show
- "Lines" representation does not show:remote
- "measure bond" vs veclength
- "measure fit" inaccuracy?
- "measure fit" problem
- "measure symmetry" and SymmetryTools fail to find simple symmetry
- "mol scaleminmax auto" vs. "mol scaleminmax $min_val $max_val"
- "no CUDA accelerator devices available", Nvidia GeForce 9600 GT card
- "non-grid" volumetric data
- "Not all atoms have unique coordinates"
- "nucleic" selection
- "OpenGL Display" and "VMD Main" windows; size and location on launch
- "pbcwithin" keyword
- "Pick item mode" inactive in OSX bundle ?
- "Prepare Parameterization from CGenFF Program Output" in ffTK
- "same as" failing?
- "Save coordinates..." silently overwrites existing files...
- "Selection not understood"
- "Sorry, this version VMD was compiled with Python support disabled"
- "spiral cylinders" instead of bonds when rendering with Tachyon?
- "tight" selection
- "transparent" material not working
- "truncate_trajectory" a new plugin
- "Unable to create OpenGL window"
- "user add key" feature
- "which files to make a spatial grid?" => Bug for list command?
- # of waters limit
- $64k/yr hpc post-doc@lanl
- %-sign shortcut for mouse->force->atom not working
- 'Abort file I/O' key not working
- 'gopython' Tkinter and Numeric Python error
- 'Hands-On' Workshop on Computational Biophysics using VMD and NAMD, February 11-15, 2012 in Urbana, Illinois
- 'Hands-On' Workshop on Computational Biophysics using VMD and NAMD, October 17-21, 2011, Bremen, Germany
- 'Hands-On' Workshop on Computational Biophysics using VMD and NAMD, October 22-26, 2012 in Urbana, Illinois
- 'Hands-on' Workshop on Computational Biophysics using VMD, NAMD, and ProDy, June 10-14, 2013 in Pittsburgh, PA
- 'percent' symbol syntax in .conf file?
- 'SURF' representation problem
- 'topology' command crashes vmd 1.8 (LINUX)
- 'within' command in VMD
- 'wrap' any kind of solvent
- (); [Fwd: PET force field & topolgy files etc.]
- (forwarded) cylinder drawing bug in 1.7b1 on NT?
- (forwarded) Modifying a Tcl script
- (fwd) vmd 1.7b1 sequence window disappeares
- (Minnesota Supercomputing Institute Install) VMD 1.9 beta 3 posted for download...
- (my) problems using molefacture dihedral
- (no subject)
- (Semi-)transparent windows on installation on a virtual server
- (UNCLASSIFIED)
- (xterm: Command not found) error
- -fpascal-strings flag when compiling with TDCONNEXION option
- -restrict option in measure sasa
- -samples flag of measure sasa
- .car or .xyz output
- .COOR TO PDB FILE
- .cshrc error prevents VMD working on OSX10.3.3??? or something else???
- .grd and .srf
- .gro files written with python script not displayed until strange modification
- .gro format to .pqr format
- .js file format for point cloud data
- .mdcrd to .trr conversion problem
- .obj Oddity
- .pdb file from XMD
- .pdbqt file type
- .psf and .params files for IMD
- .psf for porphyrin
- .str file generation of nitrile group containing ligands
- .trr files slow to load
- .VMD state file does not load properly
- .vmdrc
- .vmdrc file
- .xsf triclinic cell contents
- .xst file disagrees with pbctools/.dcd file - what are the limitations of pbctools?
- .xyz bond
- .XYZ File format
- .XYZ File format (DL_POLY conversion)
- .xyz file, namelist index too large error
- .xyz to .dcd using catdcd
- /usr/local/lib/vmd/vmd_LINUXAMD64: error while loading shared libraries: libOpenGL.so.0:
- 0ne of a kind repl1cas
- 1-Nanotube Zigzag and 2-saving coordinates problem
- 1.3b2
- 1.6.1 hotkey problem
- 1.8.2beta
- 1.8.3
- 1.8.5: VASP plugin not correct
- 1.8.6 install for Windows OpenGL (Microsoft Windows 2000/XP/Vista (32-bit) using OpenGL)
- 1.9.2 beta2 doesn't pop up window
- 1.9.3 Version
- 1.9.4 beta version of VMD
- 1.9.4_a43 mixes g++ and gcc during building and ignores LDFLAGS
- 1.9.4_a43 parallel build issues with high -j
- 1.9.4_a43: chemical2vmd should use /tmp instead of /usr/tmp
- 1.9.4a43-Catalina-Rev6 TkConsole Up Arrow History
- 1.9.4a50 - unable to open DCDs win64
- 100% of CPU usage
- 15% off on two watches
- 1999 VMD User Survey Report
- 1CA2 autoionization
- 2 Issues in VMD 1.9 beta3
- 2 more quick questions
- 2 questions
- 2 questions about "measure sasa"
- 2-Dimensional map of a lipid molecule around the protein
- 20 colors for 20 amino acids!
- 2000 VMD Survey Report is up
- 2006 VMD user survey in progress
- 2011 VMD User Survey results are posted...
- 2016 ISQBP Meeting: early registration / abstract submission deadline approaching
- 2D Contour plot
- 2D projection
- 2D RMSD matrix plot
- 2D rmsd matrix plot for C-alpha atoms
- 2D rmsd plot for C-alpha atoms
- 3 simple questions from a newbie
- 3-d printing of vmd scenes
- 3-d visualization
- 32bit memory problems on Mac OS
- 3D Connexion - Space Navigator (OSX drivers)
- 3D density in the specific part of the simulation box
- 3D glasses with LCD
- 3D Glasses with LCD for VMD
- 3D Graphics
- 3D grid data to 2D contour?
- 3D hardware
- 3d pdf
- 3D pdf problem
- 3D printing
- 3D projection of vmd window
- 3D projectors compatible with VMD.
- 3D protein visualization
- 3d space navigator and MacosX-vmd
- 3D Stereo : Windows 7, nVIDIA GEFORCE
- 3D texture mapping
- 3D visualization
- 3D visualization options on Linux boxes
- 3d visualization setup
- 3d visualization VMD / NVIDIA / Linux
- 3d viz?
- 3D-Connexion Space Navigator for Macosx
- 3D/stereo hardware recommendations wanted!!!
- 3dconnexion spacemouse pro and vmd on fedora 21
- 3Dconnexion SpaceNavigator (OS X)
- 3DConnexion SpaceNavigator in 1.8.7alpha30 on OS X
- 3Dconnexion SpaceTraveler works
- 3Dsig 2011: Structural Bioinformatics & Computational Biophysics, Vienna, 15-16 July 2011 (abstract deadline May 1st)
- 3Dsig 2011: Structural Bioinformatics & Computational Biophysics, Vienna, 15-16 July 2011 (abstract deadline May 1st).
- 3rd party tools- vmd
- 4x4 trafo matrices to get "homo-two-protein-complex"
- 64 bit NAMD on AIX and CatDCD
- 64 bit windows VMD
- 6DOF controllers
- 780Ti and NAMD2
- 7th Industrial Fluid Properties Simulation Challenge
- 99 Toyotas as low as 2% over invoice
- : about complexing protein and ligand!
- << Centering/aligning several molecules >>
- << Different values of RMSD >>
- << Hbonds distances >>
- << Loading trajectory file in Windows fails >>
- << memory issue? >>
- << multiple atom selection >>
- << thresholds for drawing bonds >>
- << Using CPK/Rasmol color scheme >>
- <<cionize on macOS error>>
- <<measure command>>
- <please insert a decent subject here next time, thanks>
- ??startup.command?? can??t be opened because CoreServicesUIAgent is not allowed to open documents in Terminal.
- ?Filesize limit exceeded (core dumped)? with VMD on Linux
- [AMBER] Viewing with VMD bonds set by the "bond" command
- [apbs-users] Missing library on mac
- [bigdcd.tcl] How to stream output to file
- [carlos.simmerling@gmail.com: ACS awards application announcements]
- [carlos.simmerling@gmail.com: ACS awards]
- [Contribute] transparent MacOS X icon for VMD
- [EXT] placing graphics objects at fixed locations on the display
- [EXT] Question for Installing Plugin for VMD on Mac
- [EXT] VMD for Mac stopped working after updating to Catalina
- [Fwd: pdb from trajectory] some clarification
- [Fwd: problems with manipulating control switches on VMS main menu]
- [Help] cross-sections
- [jfavre@cscs.ch: SC'15 Scientific Visualization Showcase]
- [jrodgers78@gmail.com: outputing secondary structure from timeline]
- [lammps-users] Initial configurations / topology for LAMMPS
- [lammps-users] LAMMPS to VMD: lmp2vmd tool
- [lammps-users] MDAnalysis (slightly OT)
- [lammps-users] NPT/ Missing bonds / atoms & atom overlap
- [lammps-users] Regarding rdf from VMD extensions+lammps
- [lammps-users] using topotools to view lammps output
- [linux-elitists] ATI Radeon support (fwd from deejoe@raccoon.com)
- [MMTK] Visualization to an image file (fwd from hinsen@cnrs-orleans.fr)
- [OT] pdb files with lots of residues
- [patch] Autodetection of formats supported by openbabel
- [patch] potential CUDA acceleration - load-balancing on different CUDA devices
- [phenixbb] secondary structure presentation in VMD
- [philippebopp@yahoo.com: PME calculations]
- [PyMOL] 3D on linux (fwd)
- [PyMOL] enable direct rendering DRI on fedora core 2
- [PyMOL] NVidia [7174] Drivers & Nuccyl
- [PyMOL] nVidia Driver 7664 for Linux
- [PyMOL] pymol crashes with new [7167] nvidia driver
- [request] Best practices for rendering frames and making movies
- [selection problem] When I choose all not 'solvent', one residue is gone?v1.8.3
- [Stefan_Franzen@ncsu.edu: Patch for deoxy and dideoxy nucleotides]
- [Tech] Colors in VMD
- [Tech] Customizing VMD: hot keys and popup menus
- [topotool] writelammpsdata : custom order for atom types
- [topotools]writelammpsdata
- [VMD TECH] Tracing VMD Variables (Part II)
- [vmd-l] Graduate assistanship in Bioinformatics at NCSA
- [VMD-NAMD] Question about Dipole of DNA / Dipole Moment Watcher Plugin
- [VMD] Cannot find "cionize" plugin
- [vmd] K3b bug?
- [vmd] max number of molecules on mac
- [VMD] Measure distance between two selections
- [VMD] Obtaining phonon spectrum of DNA
- [VMD] Power-spectrum calculation
- [vmd_chcwaaa@yahoo.com.cn: about measure dihedral angle]
- [VMDTECH] Drawing Methods, Part I
- [VMDTECH] Drawing Methods, Part II
- [VMDTECH] Hingefind
- [VMDTECH] Making Movies
- [VMDTECH] Morphing
- [VMDTECH] RMSD and best-fit alignments
- [VMDTECH] Schedule Change
- [VMDTECH] Secondary Structure
- [VMDTECH] Small things
- [VMDTECH] Smoothing Animations
- [VMDTECH] Tracing Atom Picks
- [VMDTECH] VMD 1.2b1 is now available
- [VMDTECH] Working with colors
- a air box
- a basic question on binding energy
- A box of amino acids
- A bug about "trans" command
- a common list problem
- a detail about PSFGENv1.4
- a display problem
- A error of " transforming dcd into pdb "
- a few questions about VMD
- a few questions on uninstall, labels, rasmol,seq window
- a file for commands of console
- A fill for "bodies" build out of surfacs
- a gas box
- a guide for installing vmd-1.8.7 on ubuntu10.10 (LINUXAMD64)
- a name quesiton
- A nanosphere with mass
- A patch for OFF import and a question about representation of surfaces
- A problem about atomselect command in a script
- a problem about multiplot
- a problem in visualizing dump files with vmd
- A problem on PBC
- a problem on Red Hat Enterprise Linux 5
- A problem on SASA measure
- a problem using python in vmd
- a problem with installation (to generate the Makefile )
- A query about the deletion of Hydrogen and re-adding them by psfgen
- a question
- a question about "measure fit"
- A question about atomic symbol and cell-border width using VMD
- a question about dcd files
- a question about force field toolkit
- a question about g(r)
- a question about get the coordinates in vector form
- a question about paratool
- a question about ribbon representation
- A question about the namd energy plugin of VMD
- A question about the plugin of salt bridge plugin
- a question in using PSFGEN
- a question regarding the signalproc package
- A question with dipwatch.tcl script in VMD
- a script for angular distribution
- a script to count the frames in which some water molecules interact with selected protein atoms
- a small bug in solvate 1.3
- a suggestion and query on command usage
- A very minor question on the MacOS X native bundle version
- A vmd bug 1.8a28
- a VMD script similar to "Rahmachandran plot' applicable to nucleic acids ?
- A VMD script to emulate the Matlab "jet" colorscale
- a water box containing only the absorbent heads of
- a way to create a nice image
- ABF Calculations Question 1
- ABF lowerboundary upperboundary
- ABF Question
- ABF tutorial: Methane-Hydration water going -> Water in gas phase?
- abinit plugin for VMD not yet tried?
- ABINIT plugin ready for testing: can read GEO and DEN files.
- abnormal water surface after nvt and npt for POPC membrane
- about ".cpmd" format
- About "Visualization and Analysis of CPMD data with VMD" tutorial
- about adding ions to an ion channel pore
- about analysis plugin
- About Atom Index Order
- about atomselect command
- about average structure
- about CHARMM electrostaic potential
- About CHARMM electrostaic potential map
- about CHARMM electrostatic potential
- About Cluster Plug-in
- about command measure dipole
- about command readpdb?
- about docking with VMD
- About drawing bonds.
- about dynamical change color of atoms
- About FFTP with transition metal complexes
- about frame
- about gamess plugin
- about graphics accelaration
- About Hydrogen bond calculation
- about inorganic builder and define variable
- About loading multiple XYZ trajectories
- about maximum number of atoms
- About mdffi cc
- about measure dihedral angle
- about measuring volume of the binding site
- about new vmd on windows
- About occupancy volume maps
- About open file .pdbqt in VMD software
- About openning a file to write in callback function
- about opls-aam ff for small molecules
- about parameter "wrapAll"
- about paratool
- About PLUMED with NAMD VMD
- About psf file
- about psf file generation
- about psfgen patch
- about resid
- about shape order parameter
- About snapshot rendering in VMD-1.9.2
- about superimposing by VMD
- About Tcl command
- about tcl program and run tcl script in namd
- About the criterion of H bond
- about the diffusion & msd plugin
- about the psfgen of vmd
- About the syntax in Autopsf - Add Patch for PRES PLIG
- about the wrap and unwrap by pbc plugin
- about TkConsole
- About using trace
- about viewing charge density
- about visualization in VMD
- about vmd
- About VMD compile in win32
- about vmd solvation plugin
- about writepdb
- absolute C.O.M motion calculation script: help
- Absolute ruler or position limits of the current view
- Absolute scaling? "Scale to #" does this?
- abuot avpos
- Accelerated MD (aMD)
- Accelerating your VMD 1.8.7 calculations with an NVIDIA Tesla GPU
- Access to bond information inside a VMD plugin...
- access to molfile plugin source code
- Access to Python libraries from Mandrake8.1
- Accessible volume around an atom
- accessing bonds angles dihedrals etc lists after PSF file is read into VMD
- Accessing Mapped Drive Files on iMac
- Accessing tachyon optix from commandline and dat file generation
- Accessing TCL through Python interface
- accessing values for selection keywords
- accessing VMD help
- ACE and NH2
- Acetone as solvent
- Acetylation AutoPSF
- ACS award information, Oct 15 deadline]
- ACS COMP awards announcement
- ACS COMP Division awards for Fall 2015 National Meeting in Boston
- ACS COMP Division student and junior faculty awards for Fall 2014 meeting in San Francisco
- ACS COMP division travel awards
- ACS COMP Division travel awards for Spring 2015 National Meeting in Denver
- ACTC Triangle Consolidation
- Action halted on error in ffTK: The following output QM was not recognized
- Activation energy
- actual simulation time for a frame
- acylated and amidated parameters.
- AD:Family Reunion T Shirts & More
- Adaptive real time selection and coloring in default display
- Add a gap in my simulation
- add a new color
- add a new file to vmd1.8.3 on linux(FC4)
- add a new file type to VMD on linux(FC4)
- add a new representation style to VMD
- Add a surface to a pdb file
- Add bond across boundaries
- Add H-atoms to Pdb file for NMR
- add Mg2+
- add new color index do VMD
- Add solvation box tool
- Add specific h-bonds
- Add Topology and Parameters in QwikMD
- Add transparent plane to molecular
- Add transparent plane to molecular structure
- Add user output to DCD trajectories
- add water on the top of protein border
- Add-H for crystallization water only
- Add/Remove Bonds
- add/remove bonds between different types of atoms
- Addforces
- adding 3rdparty plugins in VMD-1.9.1
- Adding a hydrogen through the command line and Molefacture
- Adding a keyword to mol addfile
- Adding a logo to a screenshot
- adding a metal ion
- adding a representation for a selection which is varying from frame to frame in a trajectory
- Adding a three letter residue name to VMD's protein recognition
- Adding a Water Box
- adding additional atoms to psf and dcd
- Adding an atom to existing trajectory (to enable RDF from centre of mass of a selection)
- Adding an atom to the existing pdb
- Adding an Implicit Solvation Compatible with below ffTK suggested Methods INQUIRY
- Adding Atoms in Colors Menu
- adding atoms to empty molecules
- adding atomselections?
- Adding bonds between many metal atoms
- adding bonds between segments
- Adding bonds in a script
- adding bonds with the mouse and writing psf
- Adding cadmium into protein
- Adding color scale bar on the screen
- adding free Fe(II) ions?
- Adding groups
- adding hydrogen atoms
- Adding hydrogens breaks "protein" atomselection and bonds
- Adding Hydroxide Ions to the simulation box
- Adding labels, etc.
- adding lipid bilayers
- Adding missing residues
- Adding missing residues to a protein
- adding modified residue into psf file from pdb
- adding new atoms to a molecule from a script
- Adding New Color Definitions to Color Form
- adding new colors
- Adding other online PDB data bases to VMD
- Adding oxygen molecules
- adding patches via autopsf
- adding residue at start or end
- Adding residues to dowser
- Adding Salt to a system
- adding selections
- Adding Single Residues to a Protein
- adding solvation box
- Adding Topology+Parameter For Small Molecule in QwikMD
- Adding two separate pdb files: Lipid Bilayer's with Protein's
- adding urea to a protein-water system
- adding water box
- Adding water in protein
- adding waters only in top of lipid
- addition on CHARMM electrostatic pot.
- Adjacent surface?
- Adjusting perspective
- Adjusting R/S configuration
- Adsorption and diffusion
- Adsorption VMD Tcl script error
- advanced python console
- advanced selections (or explicit pair list) for measure gofr ?
- Advantages of new RTX/Turing NVidia cards?
- advice for a PCI video card on redhat
- Affordable 3D stereo.
- again :resid of water that is H bonded
- again about average strutcure
- Aggregation analysis
- Alascan plugin error
- Alascan, psfgen errors
- alchemical transformations
- algorithm for command *within*
- algorithm for finding center of mass of the side chains in the protein
- Algorithm for RMSD and alignment
- Alias histidine residue
- Align a PORTION of several structures
- Align a trajectory
- align and superimpose crd structures.
- align axes
- align electron density map onto simulated structure (with different center)
- Align membrane
- Align mistake
- align molecules using "anchor" atoms
- Align only translation not rotation
- Align protein with different number of aminoacid
- Align specific residues of two structures
- align two molecules with index
- Aligning a dcd file of a protein consisting two chains
- Aligning Desmond Trajectories again
- aligning molecules with different number of atoms
- aligning molecules with modes from ProDy
- aligning multiple trajectories to a single .pdb file
- Aligning of ions and DNA
- aligning one molecule
- Aligning portions of proteins
- aligning protein based on one helix of protein
- Aligning structures
- aligning trajectories
- Aligning two proteins of varying atom numbers
- aligning- on top of the bilayer
- alignment
- Alignment and RMSD calculation
- alignment and rmsd fit
- Alignment issues
- alignment of two the same structures
- alignment problem
- alignment problem. trying to align new lipid to bilayer, but lipid always has wrong direction?
- Alignment Python
- Alignment with RMSD trajectory tool
- aligntool
- aligntool docs?...
- All that I never took the time to ask about VMD ...
- all within selection
- allowing negative 'resid' numbers in selection strings
- Alpha to beta conversion
- alpha-quartz with hydrogen bond
- Alpha-RMSD
- alter crosshair appearance
- Altering Definition of Molecular Coloring Method
- Altering extrabonds force constant during MD
- Altering water sphere and charmm type
- alternative display mode of HBonds
- altloc pdb entries
- AMBER (old ?) nucleic acids names not recognised
- Amber calculated structure(PDB) visualization in pymol vs chimera vs vmd
- AMBER coordinates with periodic box
- amber generated netcdf trajectories
- AMBER parmfiles
- Amber patches for Auto PSF generator
- AMBER pbsa electrostatic potential map
- Amber periodic images
- AMBER prmtop and traj to pqr - radii error
- Amber prmtop/inpcrd files
- Amber rst7 not loading
- amber traj to pqr - radii error
- amber trajectory
- Amber trajectory loading
- AMBER trajectory visualization
- Amber visualization problem
- AMBER6 format
- AMBER9 netcdf trajectory loading
- Ambient occlusion / Electrostatic surfaces
- Ambient/direct light missing after adding Glow lights to a tachyon scene with glow_lights.tcl
- AMD vs. nvidia support
- AMD64 vmd installation problems
- amd64/nvidiaFX1100/linux crash
- amidated C-terminus and pyroglutamate
- Amide peptide capping group lost in VMD
- amino acid mutation plugin
- aminoacid mutation
- Aminoacid selection
- ammonium sulfate ions in system
- Amorphous Structure code or builder
- Amorphous Structure code or builder for non-programmer
- An APBS problem
- an arrow for a dipole
- an continuous increased pattern for RMSD curve after long run
- an inconsistance between psf file and coor file after equilibration
- an old question
- an old...old..old..question
- An remark on PoV output
- Anaglyph rendering problem
- Anaglyph stereo with other colors
- analysing big trajectories
- analysing big trajectories (fwd)
- Analysis
- Analysis of DLG filles
- analysis of energy with water excluded from dcd file
- analysis script causes vmd to crash
- analysis scripts: VMD text /batch mode
- Analyzing a 10ns simulation on Mac aborts
- analyzing amino acids forming pore constrictions in a channel protein
- ANALYZING DESMOND OUTPUT IN VMD
- analyzing gromacs trajectories with VMD
- analyzing gromacs trajectory (.trr) with VMD
- Analyzing pdb files remotely with VMD installed locally
- Analyzing results of simulation done by gromacs
- Andres Morales sent you a little gift
- Android support
- Angle between a vector and a plane
- Angle between molecular dipole and nanotube axis.
- angle between protein domains:
- angle between two domains connected at a hinge
- angle between two vectors
- angle calculation trajectory
- Angle Cutoff variable for Hydrogen Bonds
- Angle parameters
- angles
- Angles and dihedral generation
- ANGLES and DIHEDRALS ... location in VMD code?
- angles and dihedrals in .psf file
- Angles between two groups of atoms
- Angles generated by AutoPSF?
- Angles in psf file
- Angular energy term
- Animate data
- animate delete
- animate error handling
- Animate Molekul
- animate read and write
- animate read command
- Animate the "beta" field
- animate transparency
- animate with varying atom numbers
- animate write of a selection in Linux version of VMD
- animated colors, trajectories, etc..
- animated gif
- animated gif option in VMD for Windows.
- animating an iso-surface
- animating drawn objects
- Animating Trajectories/NAMD Output files
- Animation
- animation and reps
- animation from files with different numbers of atoms
- animation of an atom diffusion inside a bulk crystal
- animation question
- animation with PDBs
- animation with variable number/names of atoms
- Animations using VMD:
- animations with molecular surfaces
- ANN: BioCoRE now includes remote job submission
- Announce VMD 1.9 released
- Announce: CPMD VMD visualization tutorial
- Announce: JMV version 0.7 is available!
- Announce: MDTools update
- Announce: New VMD Images and Movies tutorial posted online...
- Announce: new vmdmovie script available...
- Announce: Struc. Bio. Software DB updates
- Announce: Structural Biology Software Database
- Announce: Updated VMD 1.8 plugins available
- Announce: VMD 1.4 beta 1
- Announce: VMD 1.4 beta 2
- Announce: VMD 1.4 beta 3
- Announce: VMD 1.4 beta 4
- Announce: VMD 1.6 Released
- Announce: VMD 1.6.1 Released!
- Announce: VMD 1.6.1a2 is available
- Announce: VMD 1.6.1a3 is available
- Announce: VMD 1.6a1 is available
- Announce: VMD 1.6a2 is available
- Announce: VMD 1.6a3 is available
- Announce: VMD 1.6a4 is available
- Announce: VMD 1.7 Released!!
- Announce: VMD 1.7.1 released!
- Announce: VMD 1.7.1b1 test version is available...
- Announce: VMD 1.7.2 (Windows-only GUI update) is available
- Announce: VMD 1.7b1 is available!
- Announce: VMD 1.7b2 is available!
- Announce: VMD 1.8 is available!
- Announce: VMD 1.8.1 released!!
- Announce: VMD 1.8.2 released!!
- Announce: VMD 1.8.3 released!!
- Announce: VMD 1.8.4 Released!!
- Announce: VMD 1.8.5 Released!
- Announce: VMD 1.8.6 Released!
- Announce: VMD 1.8.7 released
- Announce: VMD 1.9.1 released
- Announce: VMD at Super Computing 99
- Announce: VMD Users Image Gallery
- Announce: ZoomSeq -- sequence browser for VMD
- Announcement about Faraday Discussion on Molecular Simulation and Visualization - call for abstracts deadline 22 July 2013
- ANNOUNCEMENT: BioCoRe
- Announcement: call for abstracts (**extended deadline**): SC15 workshop "Producing High-Performance and Sustainable Software for Molecular Simulation"
- Announcement: Hands-On Workshop On Computational Biophysics
- Announcement: QM/MM Workshop
- Announcement: User defined movie animation
- Announcement: Workshop on Simulation Based Drug Discovery (San Diego, CA, Sept 21-25, 2015)
- Announcement: ‘Hands On’ Workshop on Computational Biophysics (Berkeley, CA, Aug 3-7, 2015)
- Announcement: ‘Hands On’ Workshop on Computational Biophysics (Lake Tahoe, CA, Aug 3-7, 2015)
- Announcement: ‘Hands On’ Workshop on Computational Biophysics (Odense, Denmark, Oct 12-16, 2015)
- Announcement: ‘Hands On’ Workshop on Computational Biophysics (Pittsburgh, PA, June 1-5, 2015)
- Announcing MDSalon!
- annoying bug in 1.9.2
- Another feature request for vmd 1.8
- another tachyon problem
- Another thought related to drawing dipole moment vectors
- another trivial question regarding the key setting.
- antechamber for Windows
- antialiasing
- Antialiasing ?
- antialiasing problem
- Antw: Stereo Mode User Defined
- any body else have VMD problems with Linux + ATI FireGL X1-256p + fglrx-glc22-4.3.0-3.7.0
- Any interest in VMD supporting mirror reflections w/ ray tracing?
- Any Mac (Intel) users still running 10.4.x???
- Any methods for real stereo viewing with Mac and OsX
- Any TCL script to identify specific MD water molecules with their respective IDs, forming hbond with certain residues in every frame
- Any tutorial/manual for Dowser for membrane protein modeling
- Any way for comparing two structures??
- Any way to output contact map data
- any way to rotate and translate with mouse without changing modes?
- anybody interested in running VMD in parallel (without recompiling)?
- Anyone Completed ffTK Calc Bonded Tab using ORCA gbw instead of Gaussian chk?
- Anyone have catdcd-4.0 for BlueGene?
- Anyone have cyclic structures I can use for testing?
- Anyone using ATI X1600?
- APBS automation with VMD
- APBS data visualization
- APBS dx colors depend on order of molec files loaded???
- apbs electrostatics
- APBS electrostatics: Output file missing or unreadable.
- APBS error
- APBS error : Cannot read output file
- APBS for small molecules
- APBS installation problem
- APBS location in vmdrc ?
- APBS Output file missing or unreadable
- APBS plugin
- APBS plugin - lib error
- APBS Plugin for VMD
- APBS plugin requires molecule renaming after drag and drop loading of .pqr file
- APBS plugin, created file pot-PE0.dx
- APBS tutorial link broken
- apbs with vmd, no output
- APBS: ELEC values
- APBS: uncharged molecule
- apocynin/1k4u
- Apologies
- Apologizes for "How to select some sugar atoms"
- APPCRASH when loading a big trajectory file (.dcd) into VMD
- append glow lights to a VMD/Tachyon scene
- append pdb
- Appending to DCD file with "animate write"
- Apple hardware configuration
- Apple VMD not showing gro file properly
- Application Error message during dihedral optimization using FFTK
- Application Error while use of Auto PSF Builder
- Apply for ACS Comp travel awards for Spring 2017 meeting in San Francisco
- applying 6dof input forces
- Applying electric field only on ions
- Applying forces in VMD
- applying forces on a protein in VMD
- April promo on w4tches
- aquire coordinates from the points of the solvent representation
- Arbitrary values of isosurface
- Archived Spam in the VMD-L Mailing List
- area of protein cross sections
- area per lipid
- Area per lipid for tubular micellae
- ARM
- Artifacts in GLSL rendering mode: deformation and noisy shading of atom spheres
- Ask the Cluster Expert
- Ask VMD scripts
- Asking VMD to show bonds between periodic images
- Aspen Center for Physics 2013 Workshop
- Assertion failure OS X 10.14
- Assign active site
- assign bond color based on bond type
- Assign velocities so I can color by velocity
- Assigning Color Codes for stress/force in .xyz trajectory files
- Assigning colors to atom names
- Assigning different temperatures in the same simulaiton
- assigning segment id or a unique identity in lammps data file
- assigning variable names using a for loop
- assigning variables for representations
- assignment of "measure contacts" output to tcl variables
- Associating .crd file extension with COR Plugin
- Associating .crd file extension with COR Plugin.
- Asymmetric concentration gradient
- Asymmetric water molecule
- athlon64 version of vmd
- ATI 3.7.6 driver bugs (and VMD..)
- ATI crashes, use of setenv VMD_EXCL_GL_EXTENSIONS
- ATI fglrx 3.11 drivers for Radeon 8500 LE with linux 2.6 kernel, quad buffered stereo on sony G520???
- ati interlace mode
- ATI radeon 8500 and Linux quad buffered stereo
- ati radeon 9200
- ATI radeon x300
- atom coloring
- Atom distances from trajotory
- atom fitting in non-PDB order
- Atom ID Change
- Atom ID/Color change with timesteps
- atom index number
- atom index starting at 0
- atom indices from x y z coordinates
- Atom label offset
- ATOM LPH
- Atom movement within a range of Z value
- atom name can not exceed four characters in pdb and psf?
- Atom name label
- Atom names aliased after psfgen
- Atom names, RES-IDS...!!!
- ATOM or HETATM record
- Atom order in VMD
- atom position update for reference atom list
- Atom renumbering in DCD file
- atom selection
- Atom Selection & List Generation
- Atom Selection based on angular criterion
- Atom selection based on arbitrary columns in the pdb file
- Atom selection based on center of sphere
- Atom Selection for RDF
- atom selection from multiple molecules
- atom selection in cv module of VMD
- atom selection in vmd
- Atom Selection Rectangle
- Atom selection to identify residues that clash
- Atom selection with asterisk atom name
- Atom selections for measure - index sorting
- Atom Selections in QwikMD
- atom serial number
- Atom serial numbers in array format
- Atom sorting according to resid
- atom type
- Atom type information is not incremented after merging two molecules.
- atom types depend on PSF/PDB reading order
- Atom typing
- atom velocity arrows
- ATOM VELOCITY HIGH ERROR in Coarse grained Simulation
- Atomic bond counting wuth VMD
- Atomic trajectory to COM trajectory,
- AtomLexer/lex.yy.c error
- atoms deleted in patch try to come back
- Atoms dropped on running AutoPSF
- atoms filter?
- Atoms in rings
- atoms inside a Nanotube, Deleting
- Atoms moving too fast
- Atoms numbers in VMD
- Atoms on top of each in wrapped trajectory
- Atoms poorly guessed after applying a patch in Psfgen
- atoms selection
- atoms selection/special characters
- atoms with changing colors
- atoms within a radius cutoff and a percentage cutoff of a trajectory
- atomsel : setbonds: Need one bondlist for each selected atom
- AtomSel and Graphics
- AtomSel with object index (Python scripting)
- atomsel: writepdb failed for vmd 1.8.6
- atomselect
- atomselect across two different molids
- atomselect and macro
- atomselect counting
- Atomselect entire water molecule using pbwithin
- atomselect for interacting hydroxyl groups
- Atomselect in loops
- Atomselect in NAMD GUI
- atomselect moveby: non-numeric in vector
- Atomselect on several molecules
- atomselect one liner
- atomselect protein
- atomselect within
- atomselect within a loop
- atomselect: cannot parse selection text:
- atomselect: cannot parse selection text: index
- atomselection
- atomselection by wildcard and distance exclusion
- Atomselection for negative values
- Atomselection in NAMDENERGY
- atomselection in order
- atomselection near periodic boundaries
- Atomselection problem
- atomselection question
- Atomselection with the position selected conditions inside the loop is not working properly
- atomselection: number of residues
- attaching an arbitrary surface molecule to a nanopore
- Attaching NBD label to residues mutated to cysteine in VMD
- attachment file size limit for the mailing list
- attempting to source a script
- Attractive or repulsive with Namd Energy?
- Authentication error VMD-xplor
- Auto Bead Display Size using topotools
- Auto IMD
- auto ionise error
- auto none /psfgen
- Auto PSF problem with VMD 1.9.4a48-Catalina-Rev7
- Autobond Criterion
- AutoHotkey script for managing VMD windows
- Autoi::sod2pot problem in "Modeling Nanopores for Sequencing DNA" tutorial
- AutoIMD
- AutoIMD and fixedatoms
- autoimd error
- AutoIMD on VMD 1.8.3
- AutoIMD on vmd 1.8.6 IRIX....
- autoimd on windows
- AutoIMD with Periodic Boundary Conditions
- autoionization error in VMD
- autoionize
- autoionize "error procesing bonds"
- Autoionize / SODIUM
- autoionize adds too many ions
- autoionize behaviour on big systems
- Autoionize does not neutralize the system
- autoionize error in vmd
- autoionize not neutralizing the system
- Autoionize plugin
- autoionize plugin parsing error (vmd 1.9.3 )
- Autoionize plugin problem
- autoionize plugin..
- Autoionize question for DNA molecule
- autoionize script
- Autoionize with non water solvent
- autoionize with polyatomic ions
- automate pdb processing
- Automate QwikMD?
- automated loading
- automatic extraction of RMSD values of the heavy atoms of residues from NAMD output?
- Automatic loading of mol2 files
- automatic PSF builder
- Automatic PSF Builder Help
- Automatic PSF Builder on Windows
- Automatically shutting down VMD after NAMD terminates IMD connection
- Automatically zoom so that the protein fill the display
- automating graphic representations
- Automating VMD
- Automation of Analysis from QwikMD and Loading Trajectory Without Water in QwikMD
- autopfs: unknown atom type error when processing ATP
- autopsf
- Autopsf CGenFF input
- AutoPSF charge generation
- AutoPSF deleting residues
- Autopsf error
- AutoPSF error vecsub
- AutoPSF error with glycana (end of segment error)
- autopsf error: failed on end of segment
- AutoPSF errors
- autopsf errors in vmd1.8.5
- Autopsf Failed on end of segment
- AutoPSF formatted PDB: wrong residue order
- autopsf from console
- autopsf generator need at least one atom error
- autopsf needs at least one atom error
- Autopsf Not Generating Atom Numbers Beyond 99999
- Autopsf problem
- autopsf question
- autoPSF with a POPC membrane
- autopsf with many modifiers
- autopsf-patches C++ error 'expected integer but got "" ""'
- autopsf: can't read "logfilename"
- autopsfgen looking for wrong angle
- Autopsfgen verbose error output?
- autostereograms in VMD?
- Average angle between the lipid dipole vector and the bilayer normal.
- average area per lipid
- Average coordinates
- average pdb from dcd file
- Average pocket size?
- Average position of atom set
- average radius of cavity over many frames from hole
- Average strcuture
- Average structure
- Average structure and NamdEnergy
- Average Structure and RMSD
- average structure generation from trajectory
- average structure script
- Average structure using multiple frame trajectory
- average structure/solute and solvent
- average z-coordinate of a selection
- averaged structure
- Averaging volmaps
- Avoid atom indices reassignment
- Avoid vmd closing with script
- avoiding distance based bond search when reading a PDB file
- AVX512 support on Linux.
- AW: "OpenGL Display" and "VMD Main" windows; size and location on launch
- AW: A fill for "bodies" build out of surfacs
- AW: Accessible volume around an atom
- AW: Affordable 3D stereo.
- AW: Align only translation not rotation
- AW: Align specific residues of two structures
- AW: Animate Molekul
- AW: Antw: AW: Oculus Rift DK2
- AW: Any interest in VMD supporting mirror reflections w/ ray tracing?
- AW: Assigning different temperatures in the same simulaiton
- AW: Average structure
- AW: AW: AW: How to smooth atom labels in a MD trajectory?
- AW: AW: AW: VMD warnings
- AW: AW: AW: vmd-1.9.1 broken after upgrade to Ubuntu 13.10
- AW: AW: hydrogen bond criteria
- AW: AW: namd-l: FATAL ERROR: seek failed while writing DCD file: No such file or directory
- AW: AW: Simplest file format that includes atom color?
- AW: AW: The quality of movie made by VMD
- AW: AW: VMD warnings
- AW: AW: vmd-1.9.1 broken after upgrade to Ubuntu 13.10
- AW: AW: why vmd cannot load the dcd trajectory?
- AW: BUG(s): vmd-1.9.2b
- AW: BUG? Hbond rep brakes RowInterleaved Stereo VMD 1.9.2a35
- AW: Building NAMD 2.12 from Source with IB and CUDA
- AW: calculating total energy
- AW: Cannot start VMD in background from a script
- AW: Center camera rotation on a molid
- AW: Certain combinations of X-server and X-client do not allow VMD to start
- AW: Change bond per atom limit of VMD
- AW: Change transparency along a trajectory
- AW: changing chain id and pdb generating
- AW: code precision problem
- AW: coloring scheme in "VolumeSlice"
- AW: CUDA acceleration for Tachyon rendering?
- AW: Define the percentage of zoom
- AW: Defining a layer for a micelle
- AW: Display representations with Tk Console
- AW: Do I need a "professional" graphics card?
- AW: Does the VMD Linux 64-bit version perform better than the Windows 32-bit when visualizing large molecules?
- AW: Draw arrows in trajectory file
- AW: Error connecting to localhost on port 3000 and IMD connection ended unexpectedly; connection terminated.
- AW: Error: not possible to build nodeSelString: () and ()
- AW: Exactly align view direction to coordinate axes
- AW: Fast PBC wrapping in VMD
- AW: Feature Request: Stride on vmd commandline startup
- AW: fftk-charges
- AW: format I should use if I have different total number of atoms for each timesteps
- AW: Fwd: distance using pbc
- AW: Fwd: VMD 1.9.2 released!
- AW: Gaussian *.log/out visualize
- AW: Generating PSF for several proteins in one shot
- AW: Get num. of residues
- AW: get resname from resid
- AW: GPU accelerated MD
- AW: graphics in VMD and overlay
- AW: H-Bonds not shown when loading by topo readlammpsdata
- AW: HBonds Plugin - Hbonds criteria
- AW: hiding atoms outside the unit cell
- AW: how can we improve it in VMD?
- AW: How do I define "collision only" atoms using MSMS?
- AW: How to constrain a atom
- AW: how to control the superposition (measure fit) ?
- AW: How to create an aggregation of molecules with VMD?
- AW: how to enable multiple core rendering?
- AW: How to increase the number of core
- AW: How to make solid surfaces work with non-orthorhombic cells
- AW: how to make the structures in the movie look better
- AW: how to measure the thickness of the water shell
- AW: How to remove particular residues and then view "ramachandran plot" in VMD
- AW: How to smooth atom labels in a MD trajectory?
- AW: How to work on multiple pdbs by tcl script?
- AW: hydrogen bond criteria
- AW: ion visualization in VMD
- AW: IR Spectroscopy plugin questions
- AW: Isosurface Render - No Color?
- AW: issue drawing a PBC box centered on a selection
- AW: loading electron density maps with a script
- AW: loading trajectory
- AW: log colorscale
- AW: making a movie in a tcl script using graphics commands
- AW: making a movie of a atomselection of a very large trajectory
- AW: making self-adjustable high resolution images
- AW: manually change secondary structure
- AW: Measure Center Question
- AW: Measure Distance Script Question
- AW: measure Hbond and orient (with vec {0 0 1}) of a selected molecule
- AW: merging independent dcd files,
- AW: moving atoms and updating distances
- AW: NAMD 2.11 Cuda does not work with Quadro FX 3800
- AW: namd-l: Solvation in non standard solvent
- AW: namd2.exe has stopped working - NAMDEnergy
- AW: Native contacts tcl script crashed
- AW: new structure file
- AW: number of water molecules within 5 angstroms of the ligand
- AW: obtain a list of residue numbers
- AW: Obtaining VMD view matrices for tcl script
- AW: Oculus Rift DK2
- AW: pbc to keep membrane in center
- AW: pbc wrap -center com
- AW: PhD position in Computational Structural Biology at MPI Muenster
- AW: printing out trajectories with some random indices of atoms renamed frame by frame
- AW: Problem with assignation of secondary structure in VMD
- AW: Problem with Kinetic Energy of Atomselection
- AW: program errors
- AW: Protein went out of the Box
- AW: Quad buffered stereo from Quadro M4000 to HDMI monitor
- AW: query regarding phi-psi range for asigning secondary structure
- AW: Question
- AW: question about reading more volumes via atomselect or removing of them
- AW: Re-centering protein molecule
- AW: reg extracting coordinates for first water shell.
- AW: Reg: Peptide dimer
- AW: regarding the coordinate transformation on a curved surface to plane surface
- AW: Rendering snapshots
- AW: Residue numbers in outfiles PDB/GRO
- AW: RE: select all residues in a molecule
- AW: SASA area
- AW: Scale the molecule
- AW: secondary structure calculation at certain frame
- AW: secondary structure inconsistency
- AW: Secondary structure representation stays static
- AW: select all residues in a molecule
- AW: select atoms within a sphere - atomselect
- AW: Selecting atoms based on the charges
- AW: Selecting atoms of same type in a certain distance (between X and Y angstroms away)
- AW: setting up a 4k HD TV for passive stereoscopic 3d
- AW: Simplest file format that includes atom color?
- AW: Sodium within distance
- AW: speed of pbc join is slow
- AW: SScache performance; fast secondary structure assignment
- AW: Superimpose Models
- AW: Tachyon transparency and depth cueing
- AW: Tachyon-Optix failure when SSH X11
- AW: tcl command to write amber format files
- AW: tcl script for averaging a parameter along length
- AW: TCL script to track molecules moving within a specified region each time frame
- AW: Tcl scripting - Coloring residues by frame along trajectory
- AW: TCL scripting question: how to make a list of atomselections persistent?
- AW: The quality of movie made by VMD
- AW: the usage of measure bond
- AW: To the developers: Get current zoom value (scale)
- AW: To the developers: TCL implementation of autofit zoom
- AW: Transparency rendering by Tachyon
- AW: Unable to visualize my polymer chains generated using RIS theory using VMD properly
- AW: Userani.tcl script jumps frame after no play
- AW: veldcd file
- AW: Visualize a SMILES string
- AW: Visualize temperature
- AW: VMD 3D movies rendering
- AW: vmd and proxy settings
- AW: VMD crash on large DCD files.
- AW: VMD crashing when loading prmtop files
- AW: VMD TkConsole command
- AW: VMD warnings
- AW: VMD with 3D TV
- AW: vmd-1.9.1 broken after upgrade to Ubuntu 13.10
- AW: vmd-I: Fatal Error: Unable to Open CHARMM Parameter File
- AW: volumetric maps
- AW: water molecules amber force field
- AW: WG: vmd and proxy settings
- AW: WG: VMD mismatch between CUDA runtime and GPU driver
- AW: why vmd cannot load the dcd trajectory?
- AW: wrapper for VMD to read compressed .xz files
- AW: Wrapping problem
- AW: Writing DCD from modified coordinates
- AW: writing velocities from VMD
- AW: z-direction selection
- AW: Zoom-to-fit before rendering
- AW: zooming into a chosen atom
- Away from email until Sunday...
- Away from VMD-L/email until July 8th...
- Away until July 12, self-help encouraged!
- AWS for VMD and NAMD no longer working?
- Axes
- Axes are not rotated?
- Axes dilema
- B factor calculation
- B-factor Plot
- B-factor plugin
- Babel and VMD
- Babel and Windows
- babel compilation error
- backbone dihedral angles over trajectory
- Backbone representation of RNA
- backbone selection failing
- background color
- Background colour
- Background gradient in image
- Backspace and delete
- Backspace not functionning in console
- bad angels
- bad angels]
- Bad Length and GLXBadLargeRequest errors
- Bad performance of VMD
- bad resolution and too slow on mandrake 10.0
- bad text display in tk console (ubuntu 8.04 VMD 1.8.7 linux 32 bit)
- bad window parameter
- bad window parameter -- SOLVED
- bad_alloc error
- Bader Charge Analysis
- badwater script - help
- basal spacing
- base plane not being filled in for terminal adenines in ribbons/new ribbons
- bash calling multiple python scripts that open vmd pauses
- bash scripts quits after few frames
- Basic membrane plugin questions
- basic procedure for ABF-PMF calculation
- Basic question about improper
- Basic VMD questions...
- Batch image creation
- Batch mode on Mac OS 10.5.3
- batchmode use of "labels" functions?
- BB Trace
- Be someone whom you have never been before with DrMaxMan
- Be the largest man around
- Beginner with cyclic peptide
- Beginner's problem
- behavior of "mol addfile first/last" with non-integer frame numbers
- Behavior of TachyonLOptiXInternal Renderer
- best fit lines through two selections per each molecule ( I have 80 molecules) and the angle with another vector for each molecule
- Best fit plane axis
- Best hardware for 3d.
- best method for showing metal nanoparticle and protein in vmd
- Best VMD install for El Capitan OS X?
- Best way for model post processing?
- Best way to bond peptides
- Best way to extend molfile plugin
- Best way to join two PDB fragments by a peptide bond
- beta barrel structure generation
- Beta color of atoms
- beta column format in PDB
- beta column in a multiseq sequences alignment
- Beta testers wanted for modified AutoPSF
- beta version
- BFEE
- BFEE calculations for protein-protein complexes
- BFEE plugin error: 'measure center: bad weight sum would cause divide by zero'
- BFEE2 Segmentation fault
- Big DCD file
- Big DCD file help
- Big trr trajectory
- bigdcd
- bigdcd + salt-bridge analysis
- Bigdcd - get coordinates from file
- Bigdcd and Namdenergy batch problem
- bigdcd for distance problems
- bigdcd v2.0 testers needed...
- bigdcd v3 available. testers needed.
- bilayer thickness in simulation of POPC membranes
- BIMac2019
- Binary request
- Binary VMD buid for Linux, text mode only
- Binding affinity simulation of a mutation structure.
- Binding free energy calculations
- Binding site similarity
- binning data for each frame and coordinate
- Bio-Image summer school in Paris this year
- BioCoRE Release: New Features
- Biometric Case Study Presentations Available (no charge), data mining and predictive modeling
- Biomolecular Simulations Meeting Bordeaux, 2&3 Sept. 2005
- Black & white VMD in CAVE?
- Black screen OPTIX interactive rendering
- black VMD opengl screen after replacing GPU
- blank output
- Blank thumbnails and non-working snapshots
- BMP snapshot
- BN nanostructure builder
- Body
- Bond angle distribution
- Bond between two hydrogen atoms
- Bond Colors
- bond connectivity for different frames
- bond connectivity not displayed in VMD
- BOND CP2 - CT2 IN PARAMETER FILES
- bond cutoff
- Bond display and Periodic Boxes
- BOND distance
- bond distance across different proteins
- Bond drawing questino
- Bond error
- Bond in pbc condition
- Bond information
- bond information in psf file
- bond Label position
- Bond Labels - Issue with Rendering
- bond length
- Bond Length and Bond Angle as a Function of Steps
- bond length definition
- Bond Lengths
- Bond lengths from PDB and PSF
- bond missimg
- Bond Optimization FFTK error
- Bond order cut-off value
- Bond representation of coarse grained molecules
- bond updating in VMD
- Bond/angle optimization using FFTK
- bonding across periodic boundary
- bonding across periodic walls
- Bonding energies between two atom selections
- Bondlength information!
- Bondlist limit
- bonds across periodic boundaries
- Bonds appearing as elongated lines
- bonds forming during simulation
- bonds in .psf file
- bonds in graphical representation
- bonds not created as desired
- bondsrecalc question
- Boolean operators and the new atomsel type
- boolean operators in graphics
- Boron nitride preparation
- boubt about consistency of measures
- Bounced VMD-L postings...
- Boundry Dimensions for Solvation
- Box boundaries displaying
- Box dimensions
- box information
- box information amber crdbox
- Box of non-polar solvent
- box vectores in .trr
- BPS Meeting @ Baltimore
- breaking a big dcd file
- Breaking a trajectory into separate files with tcl
- Breaking Bonds in VMD
- breaking the DCD file
- breaking the last bond when loading
- bridging_waters.tcl error and usage
- bring z-axis along a new vector
- Broken bonds in trajectory due to pbc
- Broken link to MacKerell parameterization tutorial
- Broken tube drawing method?
- Buffer Overflow in "label add" in VMD
- Bug fixed in volmap
- Bug in 'source' command or in for loop?
- Bug in AutoIMD
- bug in comments interpretation of vmd
- bug in Hbond Option
- bug in membrane plugin
- Bug in molefacture proline residue of official version (1.8.6 LINUXAMD64)
- bug in the g(r) evaluation?
- Bug in the tcl script
- Bug in VMD 1.9.3?
- BUG in VMD dx reader plugin
- Bug in VMD main?
- Bug in VMD-1.6 (linux, GL)
- Bug in VMD-1.8.7 multiseq functionality
- Bug in VMD?
- bug in xsfplugin [patch included]
- bug of VMD
- BUG Report -> Draw multiple frames
- Bug report for NAMDgui plugin in VMD (1.9.4 alpha 8)
- bug report in VMD 1.8.5
- BUG REPORT: Malfunctioning of VMD with Yosemite/ Follow up
- BUG REPORT: Malfunctioning of VMD with Yosemite?
- bug when starting VMD on MACOS ARM
- Bug with FEP?
- BUG with MODEL card in PDB file
- BUG(s): vmd-1.9.2b
- BUG: vmd-1.9.2 final Representations GUI
- bug?
- BUG? Hbond rep brakes RowInterleaved Stereo VMD 1.9.2a35
- Bugfix: new save_state.tcl for VMD 1.8 installations...
- Bugs ? Representation window does not update new material
- Bugs and Questions
- Bugs in solvate plugin
- Build a customized alpha helix using Molefacture by command
- Build a VMD forum?
- build dependency
- Build graphene sheets using VMD
- build unit cells and supercells for VASP
- build virus envelope
- Building a beta barrel using a beta hairpin
- Building a membrane
- Building a membrane from a individual surfactant molecule
- building a solvent/gas filled simulation box, no protein inside
- Building a sphere of atoms around a chosen atom
- Building Al2O3 or Fe2O3
- building amino acid modification
- Building amino acid simulation box.
- building an uncoming sulfide bridge
- building bilayer with DOPC or other lipids
- Building Boron Nitride
- Building HMMM using patch files
- building loops
- Building LPS membrane
- Building micelles
- Building NAMD 2.12 from Source with IB and CUDA
- building plugins fails on tcl based plugins
- Building Plugins to work with Mac Builds
- Building plugins with _USE_ZLIB (how to activate preprocessor macro)
- Building plugins with Borland Bcc32
- Building polymer psf from monomer topology
- building psf with CMAP, old topology remark entries still in psf
- Building structure
- Building unit cell from asymmetric unit
- Building VMD in Windows
- building VMD is tricky -please help
- building VMD on LINUX
- Building VMD on OS X 10.6 with Python and CUDA support
- building VMD on SGI IRIX 6.x
- Building VMD on windows 2000
- Building VMD under Windows 2000
- building VMD with opnempi support
- building VMD with Ubuntu 18.04
- Building zeolite cage
- Buried Surface Area
- by using Axel's HOOMD plugin, convert pdb to xml and missing bond information
- Bypassing MM parameterization of ligand in QMMM
- bypassing MolFrac step
- C atom projection calculation
- C NH1 C minimization error
- C-terminus link to side chain amine
- c_top2psf.pl
- ca contact map
- CA distance command
- CA-CA distances in a trayectory
- Ca-dist script
- caculate the RMSD of 10 DNA
- Cafe 1.0 plugin does not recognize commands
- CAFE plugin
- CaFE Plugin - Didn't Find vDW Parameter for Atom Type HT1 Error
- CaFE plugin: Issues with PB solver
- CaFE VMD Plugin Errors at PB Calculation Step
- Calculate accessible surface area
- Calculate angles using fit_angle.tcl
- calculate atom distance between two chain
- Calculate CC in MDFF
- calculate charges of the binding site residues with psfgen
- Calculate density
- Calculate End-End distance for DCD
- calculate end-to-end distance with trajectory files
- Calculate Free Binding Energy of Protein-Protein Complex: CaFE Extension
- Calculate Free Energy of Protein-Protein Binding
- Calculate Free Volume?
- calculate g(r)
- calculate HBOND
- calculate radius of empty space between selected residue
- calculate rmsd in a loop:feedback [sorry if you get it twice]
- calculate side-chain dihedral/torsion angles
- calculate structure of protein
- calculate the angle between two principal axes from two selecton
- Calculate the area of overlap?
- Calculate the bond and angle energy of a glucosidic linkage using NAMD Energy plugin
- calculate the percentage of beta-sheet and alpha helix with time evolution
- calculate the solvent molecule within a cut off from protein
- Calculate torsional angle with big_dcd adding a boolean control for pyrimidines and purines selection
- Calculate VolMap for every frame by a script
- calculate volume
- Calculating acyl chain order parameter profile on phospholipid vesicles
- Calculating and drawing symmetry axes
- Calculating angles between subunits
- calculating b-factors from trajectories
- Calculating Bias for Well-tempered metadynamics
- Calculating changes
- Calculating density for a molecule
- Calculating Diffusion Coefficient Using VMD
- Calculating dipole moment of protein
- calculating distance between center of geometry/mass of methyl hydrogens for all residue pairs
- calculating distance between center of mass of two set of residues
- Calculating distances from command line VMD 1.9.2
- calculating lipid order parameters
- Calculating mean square displacement and removing PBC
- Calculating minimal distance between two groups
- calculating number of water and osmolytes molecules at particular distance from protein surface.
- Calculating parameters in lipid bilayers
- Calculating pocket volume
- Calculating RDF from xyz file
- Calculating rdfs without the VMD gui
- Calculating residence time
- calculating RMSD for a trajectory file
- Calculating RMSD on two sets of points
- Calculating RMSF for a lot of trajectories
- Calculating RMSF plots without using scripts!!!
- Calculating system net charge with tcl in VMD
- Calculating the Tilt Angle of a non-helical peptide
- Calculating the torsion angles in nucleic acids
- Calculating time variation of potential.
- calculating total energy
- Calculating volumes enclosed by SAS
- Calculating volumetric data for a molecule
- calculation hydrogen bond.
- calculation limit of gofr?
- calculation of alpha helical content
- calculation of angular distribution function
- calculation of binding energy
- calculation of free energy between lipid membrane and protein
- calculation of geometric centers of the rings
- Calculation of gofr for non-orthorhombic boxes
- Calculation of ligand displacement Vs time
- Calculation of no. of turns, pitch in DNA
- Calculation of pair distribution function
- Calculation of residue pair energy values
- calculation of RMS values
- Calculation of RMSF
- calculation of rotation angle
- Calculation of VAF using signalproc plugin
- Calculation the Surface Area/Volume of a Protein Cavity
- Call for participation: ISQBP Meeting, Telluride 15-19.06.2014
- Call to Stride program failed
- Calling all DCD files in a directory sequentially using CatDCD
- Calling Python hackers....
- calling scripts from the command line
- Calling VMD from Linux Cluster
- Camera in VMD!!!
- camera navigator question
- camera position and scale
- Can a script change the projection?
- Can any of you help me out in building VMD pls
- CAN ANY ONE HELP ME
- Can anyone help me get the coordinate of the cylinders in the cartoon representation?
- Can anyone help me out with this script
- Can bonds radius be controlled by tcl command?
- Can Catdcd Write Out Periodic Cell Size Information?
- Can I build a structure by VMD?
- Can I calculate B-factor using VMD
- can I change the axes type to look like something like a graduated coordinate?
- can I combine several dcd files into one dcd file?
- Can I load NetCDF trajectories from AMBER in VMD on a Windows machine?
- can not compile VMD plugin
- Can not enter text in VMD plugin window
- can not import Hessian/charge from single point calculation
- Can not run VMD in interactive mode on the supercomputer from Mac
- can not visualize bond in vmd
- Can paratools really parametrize a structure? Is it really finished?
- Can specden produce the autocorrelation and not only the powerspectrum?
- Can the CG model built from VMD be used as an Input of NAMD,GROMACS and any other MD program?
- Can VMD add other organic solvent into system?
- Can VMD add other solvent except water in system?
- can vmd add protons to particular atoms?
- Can VMD build predicted protein structures by homology?
- can VMD display a box?
- Can vmd do symmetry operation?
- can VMD render movies in stereo quad-buffered mode?
- Can vmd select residues in radius of 3.5 to a specific residue?
- can VMD show artificial bond info?
- Can VMD show the interactions between different structure part?
- Can VMD visualize forces?
- can we control the number and distribution of solvate molecular
- can we delete in command line?
- can we export VMD scene as webGL file?
- Can we fix the position of two atoms while minimization?
- Can we get secondary structure from PDB files?
- can we visualize sos file?
- Can you show me an example of the .xyz file that is used to calculate the IR spectrum
- can't add packages
- can't build VMD on MacOs Ventura: use of undeclared identifier 'msms'
- Can't compile VMD 1.8.3: Tachyon 0.97 needed
- Can't connect to BioCORE
- Can't execvp vmd_SOLARISX86
- CAN'T FIND BOND PARAMETERS FOR BOND C - CPB IN PARAMETER FILES
- Can't find C-PDB bond parameters
- can't find file
- Can't import python math module
- Can't load a large dcd?
- can't read "::vmd_pick_event": no such variable
- can't read "viewplist": no such variable
- Can't read DCD files generated using NAMD.
- can't read pdb file
- can't see all frames in XYZ file
- Can't set graphics window position to 0,0
- can't use arrow key in vmd -disp text mode
- Cannot find "cionize plugin" in VMD
- cannot find PSF and PDB
- cannot ionize coarse-grained system
- Cannot load file for SASA analysis
- Cannot load Gromos96 trajectory file (attached)
- Cannot merge psf and pdb files using psfgen
- Cannot open parm7 file through tcl script, but can open via graphic interface
- cannot open vmd
- Cannot perform RMSD analysis
- Cannot read MSMS data files
- Cannot read MSMS facet file
- Cannot Remote Display on Ububtu
- Cannot Remote Display on Ubuntu
- Cannot run IED! :(
- Cannot show the simulation box
- Cannot start CAVE display
- Cannot start VMD in background from a script
- cannot visualize GROMACS trajectories in VMD 1.9.4 on MacOS Big Sur
- Cannot write parm7 file with type parm7
- cant connect Novint Falcon with VMD
- cant find output file from tachyon render.
- cant open .car file
- Cant start IED
- Cant use NAMDplot to plot
- capping or patching protein ends
- Capture query data
- capturing box dimensions from amber coordinate files
- Carbon Nanotube Interaction with Protein Simulation NAMD VMD
- Card for VMD with OpenGL & Linux
- Cardiolipin residue names changed by vmd
- carnal output trajectory
- Cartesian coordinates to polar coordinates
- cartoon of alpha carbon trace
- cartoon problems (encore)
- Cartoon represenation for non-standard residue
- cartoon representation
- Cartoon representation for large molecules
- Cartoon representation in VMD with amber netcd file
- cartoon representation of 1crn
- cartoon selection
- Cartoons and secondary structure prediction
- Catching error info before it shuts down ...
- catdcd
- catdcd - writing DCD with box info from namdbin and xsc files?
- catdcd -first
- catDCD 4.0 and xplor
- catdcd 5.1 not working from VMD terminal
- catdcd a vmd extension?
- catdcd and velocity dcd file
- CatDCD Desmond Support
- catdcd error
- catdcd error opening reading index file
- catdcd in VMD
- catdcd in Windows
- CatDCD on Windows
- catdcd plugin for Windows users
- CatDCD Question
- CatDCD refuses to work (mac)
- catdcd usage with Desmond trajectory
- catdcd vs readdcd.h error checking
- CatDCD windows binaries
- CatDcd Windows Version
- catDCD- convert DCD format
- catdcd.LINUX
- Catdcd?
- cave
- CAVE & Vmd
- CAVE and Flystick control
- Cave and usr keys defined in tcl
- CAVE on OS X
- CAVE Question
- CAVE Sensor Question
- cavetracker
- cavity/pocket representation
- CCL: show ruler in VMD
- CCL:md rookie update
- CCL:md rookie update (fwd)
- CCL:NAMD failure on Berendsen pressure scheme
- CCL:program for viewing MD
- ccp4 in vmd
- CD spectra
- CDROM/Windows/Linux
- CellPack
- Center a trajectory
- Center camera rotation on a molid
- center command
- center of mass
- center of mass 4 rdf VMD
- center of mass position
- Center of Mass RMSD in a trajectory
- center of unit cell
- center scaling and rotation
- center selection problem
- Centering an atom over the length of a trajectory
- Centering GPCR onto Lipid Bilayer
- Centering of the view on one atom
- centering problem in salvation box
- centering problem in trajectory tool
- centering seection on screen
- centering selection on screen
- centering the molecule
- Centering water molecules
- CentOS 6.4 crashed right after starting vmd
- Centre of gravity for movies
- Certain combinations of X-server and X-client do not allow VMD to start
- CG bead definition
- CG Builder
- CG builder for martini force field
- CG builder in script
- CG definition of POPS
- cg ionization
- CG lipid bilayer vmd 1.8.7
- CG Map Tool Syntax Error
- CG Martini File for Cholesterol
- CG- CNT
- cg_bonds.tcl
- cg_ionize
- CG_MD temperature
- cgenff atom type issue
- CGenFF atom types
- cgtools
- CGTools error: atom select: cannot parse selection text...
- CGTools Plugin
- CGTools with pdb and top files
- chain fails
- chain identifier change in the pdb files generated by the "solvate" and "Add Ions" plugin
- chain seprating and jumping because of periodic bound
- Chains x, y, and z cannot be selected
- Change atom color dynamically.
- Change Atom serial Atom
- Change atom types in topotools
- change axes name
- Change bond per atom limit of VMD
- Change browsing directory in mac
- change color from script
- Change color of drawn object
- Change Color Scale
- Change color scale data range
- change color sequence used in label graphs?
- Change coordinates
- change cylinder surface properties
- change default bond cutoff distance
- change default drawing and coloring method
- Change Font on VMD Main Window -- Linux
- Change in color of residue
- Change in reaction coordinate value after doing solvation from that of the crystal structure
- Change Label Font
- change location of temporay file storage (Win2k
- change location of temporay file storage (Win2k)
- Change of colour for bond distance
- change of font
- Change only the CA coordinates in a pdb file via tcl
- change order of atoms in save trajectory from input
- Change Path to Povray
- Change properties of representations - batch mode
- Change representation default from lines to points
- Change requested in lammps plugin for VMD
- change residue colors?
- change residue name and write a trajectory file
- change the radius of atoms
- change the representation of certain atoms which pass a geometric criterion during a movie
- Change Tkconsole brackground
- Change transparency along a trajectory
- Change VDW scaling in CPK drawing method
- change_tkconsole_color_of_background_and_foreground
- Changing a structure of macromolecule with VMD
- Changing alphanumeric atom naming scheme to numeric
- Changing atom colouring by a non-standard property
- changing atom number in animation
- Changing atom order in DCD structures?
- Changing atoms diameter
- Changing Beta values for each frame of a trajectory..
- changing bond color
- Changing bond numbers
- changing certain dihedral angles while keeping rest of molecule fixed
- changing chain id and pdb generating
- Changing color of a given atom
- Changing color scale bar location in VMD
- Changing colors
- Changing colors during a dynamics
- changing colours isosurface
- changing cpk shere scale in TCL
- Changing decimal places in a label?
- changing default colors for resname HIE HID HIP
- changing default sec struct colors
- Changing Default Settings for VMD Main Window
- changing dihedral angles in molefacture
- changing font size
- changing frame
- Changing Graphical Representations
- Changing isosurface wireframe thickness when rendering with Tachyon
- Changing isosurface wireframe thickness when rendering with TachyonL
- changing label format with some arithmetic
- Changing molecule number
- changing molid number
- changing name of N and C term residues
- Changing Nvidia driver
- changing occupancy for bunch of PDB file
- changing origin of rotation (NOT center of mass)
- Changing representations on a per-atom per-timestep basis
- Changing residue name for a resid
- Changing Text Style
- Changing the atom species during animation
- Changing the color of atoms of a particular name
- changing the color of Sn atom
- Changing the color of some atoms
- changing the color of subset of representation
- changing the default representation for the sequence viewer
- Changing the display window size in a script
- Changing the Font size of the XYZ Logo
- Changing the format of atom labels from %f.3 to something else
- Changing the Index values of a molecule (the differenece between gro and pdb files)
- Changing the label for resname
- changing the name of a residue
- changing the order of atom selections / alignment issue
- changing the representation of a vector
- changing the representation of all loaded molecules
- Changing the rotation and centering matrix of a molecule
- Changing the Secondary Structure of a Protein
- changing the tile angle of a peptide embedded in a membrane
- changing the tilt angle of a peptide embedded in a membrane
- Changing the title in the viewer window
- Changing Tk console background
- Charge coloring and Stereo hot keys
- charge exceed the range between Low bound and High bound in ffTK charge optimization
- charge information for the PMEpot plugin
- Charge opt in FFTK
- charge opt not converged
- charge optimization
- Charge Optimization error
- Charge Optimization error: error deleting "base-wat.pdb": permission denied
- Charge optimization in ffTK
- charge re-optimization
- Charge State Confusion
- charge surface area
- charge visualization
- charges in VMD 1.9 vs. VMD 1.8.7
- charges optimisation of a cationic molecule with ffTK
- Charlie Buy your loved one Hermes
- Charm force field for POPS lipid
- Charm++ fatal error: FATAL ERROR: UNABLE TO FIND BOND PARAMETERS FOR CG321 NG301 (ATOMS 6407 6408) .. ERROR) Error connecting to localhost on port 3000
- charm27 forcefield_topology
- charmm binary ele. pot.
- CHARMM CRD files: COR plugin
- CHARMM electrostatic potential
- Charmm expanded coordinate file format?
- Charmm FF parameter file for 2-hydroxypyridine
- CHARMM parameters for ADP-ribosylated arginine?
- CHARMM parameters for iodide and bromide
- CHARMM parameters for Mn 2+ ion
- Charmm parameters for Polybutylene terephthalate (PBT)
- CHARMM TO AMBER FORMAT CONVERT
- CHARMM to AMBER trajectory conversion
- charmm toppology : internal coordinates
- charmm vs amber
- CHARMM36 alleged missing CC CT1 NH2 angle params
- charmm36 and charmm27 together with namd?
- CHARMM36 and water: can the H-H "bond" be added to the wat.top file used by solvate.tcl?
- CHARMM36 topology files, AutoPSF and DNA
- charmm36 vs charmm27/22 topology
- charmmgen to autopsf
- ChatGPT knows basic VMD scripting...
- Cheap 3D Glasses
- Check and remove the overlapping between atoms
- Check DCD finish
- Check if the lysine residues are deprotonated or not inside the membrane ?
- Check out my photos on Facebook
- CHGCAR file read in VMD
- Child killed error: unknown signal
- chime vs vmd
- Chiral indices in VMD Nanotube Builder
- chlorine atom: Cl or CL ?
- chloroform box
- chloroform box ChARMM
- Chloroform Solvent Box
- Choice of a Linux machine for VMD and high-end computing
- choice of VDW radius
- Choosing an appropriate isovalue for comparing different systems
- choosing an optimal workstation video card for VMD
- Chromium
- CIF file reader
- Cionize
- CIonize Not Installed on Windows VMD
- Cionize on mac cuda
- Cionize plugin
- Cionize Plugin - Output Options?
- cionize plugin VMD
- Cionize question for DNA molecule
- cispeptide and chirality extrab options
- citing SODIUM program
- CL
- Cl ions
- Clarification on RMSF Calculation
- Clarification on solvent box sizing
- clarification to "problem using pbc wrap"
- classify and compute the forces between two atoms
- Classroom Stereo projection
- clear altloc field
- Clip
- clip plane and cpk / VdW
- Clipping plane
- Clipping plane redering issues
- Clipping plane tool and export
- clipplane
- Clonerep GUI issue with VMD CVS
- cloning a molecule
- Close contacts upon solvation of XYZ file.
- closewater.tcl
- Closing filehandles in vmd tcl script
- Cluster analysis
- Cluster Analysis given a dcd trajectory
- cluster of particles
- Cluster plug
- Cluster plugin and Gromacs g_cluster
- Clustering algorithm
- Clustering by RMSD
- Clustering MD trajectories
- Clustering plugin updated to v2.0
- clustering tool is not working
- Clusters help
- clusters visualization with colours
- CMAP and psfgen
- CMAP problem
- cmd line FFK
- CMYK
- CMYK images
- cns files
- CNT Analysis
- CNT structure formation
- Coarse Grain model for graphene
- Coarse grain modelling problem
- Coarse Grain Setup
- Coarse Grained - angle/bond parameters
- Coarse Graining Cholesterol with VMD's cg builder
- Coarse graining disordered protein
- coarse-grained solvate usage
- Coarse-graining a retro protein
- Coarse-Graining Protein with Ion Ligands
- Coarse-graining: Inability to assign charge to C-terminus using fix_martini_psf.tcl
- code precision problem
- colomb map in volmap tool
- Color a protein based on a property
- color atom by stress
- Color atoms
- Color bar
- Color bar in VMD
- color bar problem in VMD
- color by charge (can colors be changed?)
- color by frame?
- color by molecule number
- color by Name
- Color by position behavior
- color by resid
- Color by velocity (speed?)
- Color by volume
- Color by Volume on an Intel 945GM
- Color change in VMD
- color change on atoms selected using mouse
- color charmm dcd by kinetic energy
- Color code
- Color code the structure by RMSF values
- Color Coding by Residue Type
- Color error on loading
- color gradient based on the sequence
- Color of bond betwen atoms with different colors
- color problem with Ati Fire GL E1
- color problem with tachyon
- Color problem.
- color protein based on an event during a trajectory
- Color scale bar
- Color Scale Data Range
- Color scale data range for coloring by timestep
- color scale definitions with more than three colors?
- color sidechains differently
- Color specific frames with specific colors in a trajectory
- Color surfaces by electrostatic potential
- color the surface with electrostatic potential value
- color trajectory using specific values rather than color scale
- Color Transition in VMD
- color update for xyz trajectory
- Color wheel gradient
- color with name
- color: negative values
- colorid
- coloring
- coloring according to charge of residues
- coloring atoms based on max bond length; Need help with bond retrieval
- Coloring atoms based on timeframe range?
- Coloring atoms by a general scalar
- Coloring based on POS
- Coloring bonds in VMD
- coloring bonds on the same segments differently from those between segments
- coloring by atom type
- Coloring by BETA not updating per frame
- coloring by charge
- coloring by difference in beta factors
- coloring by gradient
- Coloring by RMSD during trajectory
- Coloring by type?
- Coloring different isosurfaces with user-defined colors
- coloring different polymers with different (random) colors
- coloring HIE, HIP, HID: sorry ... I got it
- Coloring lots of Groups
- coloring method
- coloring method User
- coloring method User for graphics like tubes?
- coloring method)
- coloring method: user
- Coloring mols by carbon only
- coloring names
- Coloring of a trajectory with atom types more than 9
- coloring of an item created by canvas
- Coloring of atoms/molecules
- Coloring of basins
- coloring of trajectory
- Coloring particular atom with particular index
- coloring residues with VMD
- Coloring rings with paperchain
- coloring scheme in "VolumeSlice"
- Coloring Scheme Spectrum
- Coloring Sections of Peptides
- coloring selected chains and residues
- coloring selection
- coloring surface by volume
- coloring trajectory depending on coordination number
- coloring waters
- coloring way in a volume slice
- Coloring with an XYZ file
- coloring.tlc script
- Coloring/material of ply files
- colormaps available for color by volume
- colors
- colors changed in animation
- Colors in VMd graphics
- Colour coordinating atoms in a trajectory by Coordination Number
- colour residues
- coloured surface
- Colouring
- Colouring Atoms according to the centro-symmetric parameter
- Colouring atoms according to their q4 or q6 values
- Colouring atoms individually
- Colouring atoms named with the same first letter
- Colouring by velocity component in VMD
- Colouring rings in paperchain
- colvars module
- Colvars module doesn't work
- colvars problem - different values in VMD and NAMD
- Combination of bigdcd.tcl and topotools plugin
- combine .pdb files to make movie
- Combine Drawing Methods - Cartoon and Disulfide Bonds
- combine together two PBD/PSF files
- Combine volmap occupancy maps
- combine.tcl
- combine.tcl error
- combine.tcl membrane plugin
- Combined "Within" atom selection
- Combining fragments for parameterization
- Combining multiple psf into one for collagen protein
- Combining PDB/PSF of Protein and CNT
- command args to MSMS in VMD
- command for volume slice?
- Command line argument
- command line dcd to trr?
- Command line for thickness parameter
- command line options for video in vmd
- command line rep creation
- Command line representation
- Command line troubles
- command measure inertia
- Command not found Error
- Command to change background to gradient
- Command to save visualization state.
- Commandline file processed before vmdrc read in
- Commands runs manually but not as a script
- Compare "measure rgyr" to SAXS
- Comparing distance.tcl/bigdcd.tcl with resid/CA vs index
- Comparing Structures with Multiseq and Qres
- Compatibility with Orcad (PSpice) ?
- Compilation
- Compilation and installation of VMD on Mac OS Catalina
- compilation error
- Compilation error: stride_LINUXAMD64', surf_LINUXAMD64, tachyon_LINUXAMD64 : No such file or directory
- compilation from source: first attempt failed
- compilation from source: make error message
- Compilation issues with tcl.h
- compilation of vmd 1.8.7 source
- compilation of vmd from source on armv8 RK3399 processor
- compilation problem using vmd1.8 alpha
- Compilation propblem
- compilation with python 2.5 and file permissions from the CVS repository
- compilation: forgot to say about Python
- Compile / Configure VMD with the Oculus Rift DK2
- compile a plugin source code
- compile catdcd.c
- compile error
- Compile from Source Crashes 5/11/04
- Compile of OpenGL shader vmdsphere failed
- compile problem for VMD1.8.6: OpenGLRenderer.C
- Compile VMD
- compile VMD 1.9 with FLTK 1.3
- compile vmd for windows 10
- compile VMD on freebsd 4.8
- compile VMD with cuda 6.5.14
- compile vmd-1.9.4a57 source - OptiXRenderer.h:84:10: fatal error: optix_math.h: No such file or directory
- compile windows binary in linux
- compiled failed
- Compiled version for MacOSX with non-standard options
- Compiling 64bit VMD
- Compiling CATDCD and VMD plugins on AIX5.2
- Compiling CUDAMarchingCubes.cu build error
- Compiling Fortran bindings for the VMD molfile plugins
- Compiling from source on Mac OS X 10.5
- Compiling NAMD from SRC: Tungsten@NCSA
- compiling on LINUXAMD64 problem
- Compiling on Windows
- Compiling plugins without netcdf
- Compiling plugins without netcdf support returns an error.
- Compiling problem
- compiling problems
- compiling stopped without any obvious erros
- Compiling VMD
- compiling VMD -- confused failure
- compiling VMD 1.8.3
- Compiling vmd 1.9 plugins
- compiling VMD 1.9.2 source with tcl 8.6
- Compiling VMD 1.9.3 64-bit on MacOS 10.13.6
- compiling VMD 1.9.3 under Ubuntu 22.04LTS: modern C library issues
- compiling VMD 1.9.3 with OSPRay support
- Compiling vmd for ppc linux
- Compiling VMD for Windows 64bit
- compiling VMD from CVS 2016 09 21
- Compiling VMD from source
- Compiling VMD from source on SDSC Datastar (AIX 5.2)
- compiling vmd from source--will that solve ied issue?
- Compiling VMD on IRIX 6.5 redux
- compiling VMD on mac
- Compiling VMD plugins on Windows?
- Compiling VMD under Windows XP
- compiling VMD with cuda from source
- Compiling VMD with full OpenGL
- compiling vmd with g++-4.6 on ubuntu
- compiling VMD with gcc 4.7
- Compiling VMD with the TNG plugin
- Compiling VMD-1.8 as a loadable python module
- compiling vmd...
- Compiling VMD: Trouble with DispCmds.C
- Compiling without graphics
- compiling/porting vmd
- complete residues within
- complex buried area
- compose pdb
- Compressed files
- compressed trajectory support
- Computational Biophysics Workshop using NAMD and VMD, November 18-22, 2013, Urbana, Illinois, USA
- Computational Electrostatics for Biological Applications (CEBA'13) July 01-03, 2013 - Genova - Italy
- Compute angle between 2 principal axis
- Compute B-factor from MD run
- Compute force between two atoms
- Compute the angle between a vector and the largest inertia axis
- Computer for 3D visualization
- Computer hangs on trying to launch VMD CUDA
- Computing angles
- Computing atom distances
- computing potential using pmepot
- Computing the transformation_matrix for best fit alignment of structures
- concantenating psf files
- Concatenate DCD Files with Different Numbers of Atoms
- Concatenate Outputs
- concatenate protein and 2 ligand files
- Concatenate translated pdb's in to one pdb file- Writepdb is giving error
- concatenate two pdb files?
- Concerning protein rotation
- CONECT in pdb files
- CONECT Records in .pdb file - bonds not getting plotted
- conect2psf
- Confidential
- Configuration file
- configure do nothing (Linux)
- configure do nothing in Linux (???) - thank you !
- configure do nothing in Linux(???)
- Configure VMD while GROMACS Installation
- Configuring Tkcon in VMD for Catalina to access history with up arrow
- configuring vmd w/ browser on OS X
- conflict between VMD and Cygwin
- conflict between VMD and Netbeans IDE on MacOSX
- Conformation assignment
- conformational alignment
- conformations of a linker
- confusing about the residue number
- connect a spring between all the atoms present in pdb structure
- Connect particular residues with a line
- Connecting a phantom with NAMD and VMD
- Connecting new residues to old residues in topology file
- Connecting VMD to a supercomputer center
- connectivity in RBCG file(pdb extension)
- Connectivity lost when loading second pdb
- connectivity problem
- Consider fluctuating volume for density
- Considering special bonds not all of bonds,
- Consistent size
- console in vmd-1.8.3 amd64 is blank (like white text on white background) so I can't see any output messages
- Constant pH MD with NAMD
- constant region selection for animation
- constant velocity for carbon nanotubes
- Constraining two sets of atoms
- constraints
- constructing a .tpr
- constructing spherical molecule?
- consultation about metal_enviroment.tcl
- contact between 2 residues
- contact map
- contact map (over all frames)
- contact map definition
- contact map for Protein-DNA interaction
- contact map in Rainbow scale
- contact map lig-pro
- Contact map using VMD Contact Map Plugin
- contactmap for RNA
- Contacts among two sets of atoms
- contacts and pbc
- contactvFreq TCL script not running
- contour plots
- Contour plots for XYZ format
- Contribution of selected atoms to surface
- control drawing method
- Control of aminoacid ionization in VMD
- control the spacing between the dashes in the hydrogen bonding between two atoms
- Convergence of the Gram-Charlier expansion
- conversion from CHARMM27 psf to charmm36 with psfgen?
- Conversion from gromacs trr trajectory into charmm trajectory
- Conversion into POVRay coordinates
- Conversion of DCD trajectories to AMBER ones ?
- Conversion of GAMESS Quantum MD trajectory file
- conversion of gromacs trajectory file (xtc) to amber trajectory file (mdcrd)
- conversion of topology entries from charmm str format to vmd psfgen format
- Conversion of trajectory files
- conversion of vmd generated (C36) bilayer to gromac format
- convert .coor to pdb
- convert .mrc map to .dx format
- convert AMBER format file to CHARMM format file or NAMD format file
- Convert an ascii matrix to an image
- Convert CHARMM psf to X-PLOR
- convert dcd file to xyz
- convert DCD files to GROMACS .XTC format
- convert dcd to coordinate, each frame, conserving the identity
- convert frames to nano seconds
- convert pdb file from angstorm to nm units
- convert PDB file to CRD?
- convert pdb format to normal pdb format
- convert pdb to psf
- convert prmtop to psf
- Convert problem
- convert psf to top with topotools
- Convert RNA to DNA
- convert tcl to python
- convert THR and SER to the phosphorylated forms
- Convert trajectory
- convert unformatted delphi phi to formatted
- convertind dcd to xyz file
- converting
- converting .dx volumetric data to 2D isocontour
- Converting .txt trajectory files to VMD compatible format
- converting a .cif file into a vmd readable format, how?
- converting coarse grained POPC membranes to atomistic representation (AMBER, GAFF)
- converting Desmond trajectory and energy file to gromacs
- Converting electron density data from .map to .dx in vmd
- Converting electron density data from .map to .dx in vmd Faisal, H M Nasrullah
- Converting Files with VMD
- Converting graphics to a pdb's coord system
- converting NAMD trajectories
- Converting namd trajectory to desmond trajectory
- converting old LAMMPS ASCII dumps
- converting pdb to xtc
- Converting tracker coordinates to molecule coordinate for selection
- converting trajectory files with catdcd in command line
- convex hull and VMD
- coordinate translation
- COORDINATES extraction of molecule's centers of mass
- coordinates of an atom
- coordinates with get command
- coordinates: visual and in-file
- CoordinateTransformation
- Copying a selection
- copying parts of an atomselect selection
- Copying the new alpha sources of VMD into the installation directory
- COR format and first residue
- COR plugin for SGI
- core API?
- core dump
- core dump when launching vmd1.8a21
- core when using some features of vmd-xplor
- correct "origin" in VMD
- Correlated motion
- correlation
- Correlation Functions
- Correlation matrix illustration via heating map
- corrigendum: error when solvating a system
- Corrupt cpmd-vmd.pdf File?
- Could not load .nc file in MAC installed VMD
- Could not locate 'dowser' (Program not found message box)
- could not make avi file
- could not read file no atoms found error
- Could not read file problem
- could not visualize DCD file downloaded from VMD website
- couldn't execute "psfgen": no such file or directory
- couldn't fork child process: not enough memory
- Couldn't load the trajectory on to vmd
- Couldn't locate ppmtompeg
- couldn't open "c:/multiseq-406080740227.start.domain": invalid argument
- Couldn't open required GL library
- Couldn't read internal coordinate table and list index out of range
- count CLA number from different frames
- count variable number of molecules
- Count waters inside a specified box
- counting gas molecules inside the nanotube
- Counting H-bonds from a dcd file
- Counting number of hydrogen bonds in the representation
- Counting number of water molecules
- counting selected atoms---selection time series
- counting specific atom types
- Counting the number of ligand molecules around my protein
- Counting water transition through a channel
- covalent atomic radii customization
- covalent bond
- covalently bonded atoms
- cp: cannot stat `../LINUXAMD64/vmd_LINUXAMD64': No such file or directory
- CPK Graphical Representation
- cpptraj-nastruct + VMD
- CPU comparison
- Crack generation in Grapehene sheet
- crash on ubuntu linux
- crash with 1.9.2 and not with 1.9.1
- Crash with molfile plugin when doing "Load data into molecule"
- Crating 3D PDF files
- CRD problems and CRD to DCD conversion
- Create a new color category
- Create a PSF
- create and operate a point in space
- Create atom selection from list of integers
- Create Binding Pocket of Every PDB File In A Directory Using TCL Scripts and Atomselect Command protein and within 4 of resname LIG
- Create bonds in VMD
- create bonds with uniform pairwise cut off radius for XYZ trajectories.
- Create CHARMM COR files with VMD
- Create covalent bonds between 2 atoms via Tk console
- create images in vmd
- create movie from multiple frames
- Create multiple tcl interpreter child instances within VMD to run several scripts at once
- Create new atoms
- create new colors
- create new topology file for new molecule
- create new topology file for new molecule]
- create psf and dcd from pdb
- create psf file without hydrogens
- Create Straight Peptide Molefacture Protein Builder
- create surface of overlapping VdW volume
- Creating 3D PDF files
- Creating a .tpr file from NAMD files Error
- Creating a constraints file(.pdb) from NMR constraints file(.mr)
- Creating a cuboid box to fit in atoms
- Creating a demo - updating the OpenGL window
- Creating a fragment of the given protein
- creating a modified pdb/psf file
- Creating a pdb of periodic images of a unit cell
- creating a povray file
- Creating a Regular Structure
- Creating a VMD movie from a Tcl script
- creating an index file for POPC in water
- creating and appending to DCD in VMD
- Creating and using a tk button
- Creating AVI movies
- Creating bond between two atoms
- Creating bonds using VMD
- Creating boxes of different water models
- Creating Carbon Nano-tube psf file..
- creating chiral molecules
- Creating custom molecule in VMD scripting
- Creating data file for triclinic system
- Creating Dummy Atoms in VMD Using TCL Script
- creating gif animation with povray
- creating high quality movie in VMD
- Creating length dependent coloured bonds in VMD
- creating model helices
- creating movie files
- Creating multiple views from same trajectory file for movie generation
- creating nonstandard solvent
- Creating PDB files of binding pockets that lists ligands first within the file
- creating periodic images of an atom
- creating psf file
- Creating psf file for graphene sheet
- Creating PSF from PDB files
- creating psf from pgn
- creating psf with trimethoprim
- creating scripts
- creating SiO2 device with Inorganic Builder
- creating spherical water droplet
- Creating surfaces with desired lengths- Inorganic Builder
- creating the center of mass pdb file
- creating topology for a unique structure
- Creating very large solvation boxes
- creating videos where the representation changes throughout
- Creating VR-movies with tachyon renderer
- creation of psf
- Creation of SiC NP
- Creation of Thin Amorphous SiO2 using Inorganic Builder-VMD
- criteria for detecting hydrogen bonds
- criteria for hydrogen bonds.
- cropping the missing residues from other PDB file
- Cross correlation
- cross correlation in VMD
- Cross-correlation coefficient calculated MDFF package
- Crosseye stereo image rendering
- crystal eyes vmd
- Crystal water
- crystallographic symmetry tool
- cube file question
- cube file: coordinates rotated
- Cube Files - proportion of the electron density
- CUBIC box of system
- CUDA 10
- CUDA acceleration for Tachyon rendering?
- Cuda an a cluster ?
- CUDA cores seen by VMD on GT540M
- CUDA driver for Mac OS X 10.7 on Late 2008 13 inch Macbook with NVIDA GeForce 9400M 256 MB ?
- CUDA Error with Quicksurf
- CUDA error: an illegal memory access was encountered, CUDAQuickSurf.cu
- CUDA errors for graphics card in Linux
- CUDA issues
- CUDA out of memory
- CUDA Support
- CUDA-NAMD hangs -- check the Northbridge temp!
- Curious about analytical capabilities of VMD
- cursor size/shape in pick mode
- custom color on surface plot
- custom db in Multiseq
- Custom particle shapes
- Custom residue in mutate psfgen
- custom residue ribbon/cartoon representation issue
- Custom selection variable
- Custom Visualization of Atom Properties Change with Color
- Custom VMD script development service for fee
- Custom Water Box
- Customized radii
- Customizing vdw radius
- Customizing VMD Sessions
- Cutting a bond
- Cutting a sphere with a specified radius along a trajectory
- Cutting and replacing in VMD
- cutting short a DMPC bilayer in VMD
- cvs
- CVS access is back online...
- cvs plugins do not compile because of errors in the sgsmooth.C
- CVS root directory not found
- Cyclic peptide Nanotube
- Cyclic peptide nanotube psf second mail
- cyclic peptides
- Cycling between files using the same output file
- cylindrical water
- Cylindrical water box
- Dangerous bug with pbwithin selection?
- Dangling Bonds
- data analysis script help
- Data fields in vmd
- data file extensions
- DCD architecture dependence
- DCD Based on a parameter
- DCD command-line options
- DCD file
- dcd File and bounds
- dcd file appears to contain no timesteps
- dcd file error
- DCD file format
- DCD file format?
- dcd files generated with catdcd
- DCD for windows
- dcd format
- dcd header information missing
- DCD is not detected as protein but single pdbs are?
- dcd large files, charmm-VMD
- DCD Question
- dcd reading error
- dcd reading routines
- dcd to coor files
- DCD to XYZ conversion)
- dcd tools
- DCD unit cell data
- dcd with fixed atoms
- DCD write/save with a python script
- dealing with large pdb files
- Dealing with lone pairs in fftk
- debug
- debugging tool for atomselect
- Decompose Transformation Matrix to Rotations and Translations along XYZ axes
- Decrease in CC during MDFF
- default colors
- default directory
- default drawing style
- Default parameters for image renderers
- Default radii and colors
- Default representation style in command line
- default representations for multiple molecules
- Default resource file (.vmdrc)
- Default XML format
- Define "color Element" through rgb values
- Define bond length
- define custom colours for posX gradient
- Define the percentage of zoom
- define water cavity using atom selection in graphical representations window
- Defining a layer for a micelle
- defining bonds
- Defining Bonds in .xyz file format
- Defining graphics colors
- Defining space coordinates for multiple structures
- defining/updating atom selection within loop
- definition of single word "protein" selection
- defintion of alpha helix in vmd?
- delatom "no segment..."
- delatom usage - no such segment?
- delet a frame from dcd file
- delete angle type with topo tool
- Delete atoms from selection
- delete bad atom in psfgen
- delete bonds in TIP3P
- delete bonds in TIP3P water model
- Delete frames in a script
- delete of some molecules
- Delete overlapping residues
- Delete redundant bonds in water molecule
- delete residues from trajectory
- delete segments from dcd file
- delete the most recent atomselect?
- Delete the residue and reassign the residue numbers
- Delete Volume Maps via Script
- Delete water 5 Angstrom away of ligand
- delete water molecules
- Deleting a given bond type by topo tool
- deleting at vmd console
- Deleting atomselect selections for proper memory management
- Deleting bonds based on length
- Deleting frames / molecules does not free up memory!
- Deleting portions of isosurfaces
- deleting specific residues or atoms
- deleting trajectory paths
- Deleting/modifying specific molecule representations
- Delightful repl1ca w4tches at Prest1ge Repl1cas
- Delightsome Cart1er w4tches at Prest1ge Repl1cas
- Delphi binary phi map problem
- dementi: VMD freezes KDE under Linux Redhat = nVidia problem
- Densities for protein and ligand
- density
- Density distribution plots
- density of system
- Density of water box in solvate 1.5 plugin ~ 0.9 g/cc
- density profile
- Density Profile in VMD
- density profile install
- Density profile of MICELLE .
- Density profile tool plugin
- Density Profile Tool: Is the selection updated as the frame is changed?
- density profiles
- Depicting hydrogen bonds between water and residues
- Depletion of few atoms
- deposition simulation from lammps
- Depth Cueing and dispdev none
- Depth of field with movie maker
- Derivation of parameters for a ligand with a Cl atom with fftk
- Deselecting the atoms
- desmond plug-in error
- desmond plugin
- Desmond Trajectory Alignment for Timeline Analysis
- Desmond trajectory conversion to dcd format
- Desmond Trajectory Files on the fly in VMD
- desmond trajectory plugin
- destroyed molecule
- Details of .psf format
- Detecting Custom "h-bonds"
- Determining energies between two different molecules
- Determining the Size of my Molecule
- Determining the Size of my Molecule. .
- determining vdw, elec, and others
- developing plugins to vmd in python
- Diagnosing vmd startup problems
- Dialboxes
- dict command
- dielectric constant for ELEC energy in VMD namdenergy tool
- difference for solvating a protein in long box suing or not using Molecule Dimensions
- difference in angles and dihedral between psf files
- Difference in ParseFEP result with versions 1.9.2 and 2.1
- Different bond styles in VMD
- different colors
- Different colors of a residue at different frames
- Different colouring of the same molecule.
- different hydrogen bond results for the same system
- different number of atoms in different frames of a trajectory
- different number of atoms in each frame of the trajectory file
- Different number of atoms trajectory frames
- different numbers of frames even though...
- Different output of Saltbridge calculation between Saltbridge plugin and Timeline
- Different results in using GUI or script Timelime
- different RMSD number in VMD and charmm
- differentiate between nitroso and oxime atomselections
- differentiating solvent molecules......
- differing particle numbers in each frame
- difficulties referencing a variable within a namespace
- Difficulties using Crystal Eyes 3
- difficulties with starting vmd
- difficulties with starting vmd (fwd)
- Difficulty downloading databases for MultiSeq
- difficulty in installing VMD on linux.
- difficulty in viewing AMBER mdcrd files
- diffusion coefficient
- Diffusion Coefficient calculation
- diffusion coefficient from rmsd
- diffusion coefficient plug-in in VMD
- diffusion coefficient tool
- Diffusion Constant
- digest form
- DIHE in topology file
- dihedral & g(r)
- Dihedral angle calculation!
- Dihedral angle calculations for alanine dipeptide
- dihedral angle distribution
- dihedral angles
- dihedral angles at the ends
- dihedral angles cleaned up
- dihedral angles cleaned up!
- dihedral angles for a lot of identical molecules
- dihedral angles of nonpolar hydrogen in FFTK
- dihedral energy using namdenergy -regd
- Dihedral fiiting - MME - optimum fit
- Dihedral fitting -FFTK-shift in minima
- Dihedrale angles in VMD
- Dihedrals
- Dihedrals Angle
- dihedrals in ffTK
- diplaying multiple frames from DCD file
- dipole
- dipole / move (align)
- dipole moment
- dipole moment - corrigendum!
- Dipole Moment calculation
- Dipole Moment Measurement
- Dipole Moment Monitoring
- Dipole moment?
- dipole watcher plugin
- Dipole Watcher Plugin - atom selection not updated at every frame when drawing dipoles
- Direct manipulation of the camera
- Disable autobonds for LAMMPS trajectory file
- Disable display resetview
- Disable OSPRay for VMD on AMD CPU
- Disable the set output
- Disabling VMD logo
- Discrepancy between colours when coloured by timestep and Tachyon rendered
- Discrepancy in interaction energy of amber coordinate trajectories of a system
- Discrepancy in value of dihedral angles of a sugar molecule by VMD tools
- discriminate aromatic ring face
- display all frames simultaneously
- Display alternative atom locations using vmd
- Display APBS on Solvent Accessible Surface
- Display bond between fragment and protein residue
- Display bond breaking
- display bonds
- Display both-signed portions of isosurface
- Display CCP4 density map around selection only
- display Gaussian cube file
- Display Grasp potential map in VMD
- display hexagonal periodic system
- Display issue on VMD for Linux
- Display Multiple Bond Order
- Display not updated when using move() from Python in VMD 1.8.6
- display of electron density maps
- Display of H-bonded waters only
- display of periodic DCD information
- display of periodic DCD information/PBCTOOL
- display of the atom number beyond 100000 in pdb file
- Display on a Graphic Cluster
- Display only side chains
- display panel only showed 1/4 of its area on the screen.
- Display point charges
- Display problem
- Display Problem with VMD in Mac OS
- Display representations with Tk Console
- display residues near ligand
- Display shuts down on startup
- Display size in VMD 1.8a29 for OS X
- display surface amino acid beads
- Display the electrostatic character (delphimap) on the structure file
- display water
- Displaying an overlay of multiple structures with VMD
- Displaying Bead and Bonds
- Displaying biological unit revisited
- displaying charge distribution
- Displaying Colors
- Displaying Counter alongside animation
- Displaying disulfide bonds with updated VMD
- displaying double, triple bonds
- Displaying Flat Cross-Sections Using Surface Representation
- Displaying gaussian cube file produced by Delphi
- displaying hydrogen bonds when hydrogens are not available
- Displaying local water molecules throughout trajectory
- displaying many frames with periodic images
- Displaying nearest images using PBCTools
- displaying neighboring residues
- Displaying protein AND ligand from an amber trajectory
- Displaying residue name in simulation movie
- Displaying residues on chain A within X of chain B
- displaying residues within 5 A of ligand in vmd
- Displaying simulations and rotations
- Displaying the periodic box ...
- displaying tube/ribbon with varying diameter ?
- displaying velocity from dlpoly history
- DisRG Plugin Availability
- Distance between atoms in frame
- Distance between center of mass of two amino acid residues.
- Distance between COM for 2 chains for each frame of trajectory
- Distance between multiple residues as heat plot
- distance between two groups of atoms
- Distance calculation in TkConsole
- Distance constraints
- Distance from surface
- Distance lines
- Distance measurement and PBC
- Distance measurement via measure bond
- distance of two center of mass
- distance selection
- distance to solvent accessible surface
- distance tween two atoms
- Distance, angle
- distance-based selections applied to velDCD
- distances
- Distances from the command line VMD 1.9.2
- distances on a isosurface plot
- Distances with respect to principal axis
- Distribute evenly n-molecules at m-angstroem from protein surface
- distribution analysis
- Disulfide bonds
- disulfide bonds are not showimg in vmd
- Disulfude bonds
- disulphide bond
- disulphide bond formation
- Divide by Zero Error , but can't find the zero!
- Dividing the water in groups like WAT1; WAT2; WAT3
- DL_POLY output files
- dll by c++ cannot be recognized by VMD tk console ?
- DLP Stereo and VR toolkit integration with vmd
- DLPOLY HISTORY FILE in VMD
- dlpoly history files in vmd 1.8.4
- DMARC settings
- dmpc membrane
- DNA .dcd file analysis
- DNA and low pH
- DNA form
- DNA hairpin
- DNA mutation
- DNA on RMSD Trajectory Tool
- Do different version of NAMD would give different results?
- Do I need a "professional" graphics card?
- do not compute/draw bonds?
- Do psf generated by psfgen and psf produced by "$sel writepsf" function in VMD have different impact on MD simulation using NAMD?
- Dobule and triple bonds
- dock
- docking
- docking in VMD
- Docking protein-protein
- Does CHARMM-GUI Drude-Prepper input generator work for MD simulation of carbon nanotubes?
- Does command "animate delete all" free memory?
- Does Paratool support CgenFF?
- Does the VMD Linux 64-bit version perform better than the Windows 32-bit when visualizing large molecules?
- Does this work with VMD: Nvidia 3DVision Glasses + SyncMaster 2233RZ + GTX 580 + Win7?
- Does topo readlammpsdata automatically detect bonds?
- Does VMD 1.8.6 support SMP under IRIX?
- does vmd allow change in volume
- Does VMD support cfg file format?
- Does Vmd support GUI and rendering separate
- Does VMD support LES simulations?
- Does VMD support LES simulations?]
- Does VMD support to draw a velocity field diagram?
- Does volume coloring require GLSL rendering?
- Domain error in parseFEP
- Domain Error while using ParseFEP plugin
- DOPC membrane
- dots per inch?
- Double bond in VMD
- double bonds
- double image for one eye with crystal eyes stereo
- doubling a membrane
- doubts in movie making using vmd.
- download pdb files from PDB with vmd 1.8.4b10
- Download the newest version of VMD
- Download vmd for 64-bit Intel Itanium
- Downloadable version
- Dowser Availability
- Dowser files and manual
- Dowser installation trouble
- Dowser-plugin with RNA
- DOWSER: child process exited abnormally
- DPPC
- DPPC Bilayer Size
- Drastically different number of suboptimal paths in similar simulations
- Draw a box cell for a crystal
- Draw a circle
- draw a time bar for a trajectory
- draw a vector
- Draw arrows in trajectory file
- draw bond across cell boudary
- Draw Bonds
- draw command
- draw command with different material
- Draw cylinder with two different diameters for the endpoints (cone)
- draw geometrical objects on specific frames
- draw hydrophobic contact
- Draw in a new layer problems
- draw intersection volume between two spheres
- draw line
- draw lines
- draw multiple frames
- draw structure with xyz coordinates
- draw text or title in pov
- Drawing a high resolution transparent or translucent sphere
- drawing a length scale on the vmd display
- Drawing a line between two atoms
- drawing a membrane
- drawing a plane
- drawing a truncated octahedron
- Drawing a vector for each particle's velocity
- Drawing an ellipsoid
- Drawing atom - atom bonds
- drawing bond for coarse grained model
- drawing bonds
- Drawing Bonds in Periodic structure
- Drawing bonds to metals
- drawing bonds with vmd/python interface
- Drawing circles and tooltips.
- Drawing cylinder in VMD
- Drawing electron density surfaces (from cube files)
- Drawing ellipsoids
- Drawing extended arrow to show direction vector on VMD
- drawing helices from partial aminoacids
- Drawing hollow circles
- drawing lines
- Drawing Method: Lines does not display anything
- Drawing multiple frames
- drawing objects
- Drawing of bonds while trajectory animation.
- drawing of direction vectors for conformational transition
- Drawing oriented cylinders
- drawing poligons
- drawing spheres
- drawing the edges of a non-rectangular box
- Drawing the simulation box from a Gromacs trajectory
- drawing trajectory of a molecule
- Drawing using variables
- Drawing Vectors
- drawing waterbox
- drop off in IO speed for bigdcd analysis
- dssp in vmd
- dssp in vmd (II)
- dti monitor linux
- dtr plugin: does it work for forces traj?
- dublicated residue name in PDB/PSF
- dumb movie maker question
- dummy atom ?
- dummy atoms and FEP
- dump to vmd
- Dumping the coordinates of single frame
- duplicate atom coordinates in PDB files
- duplicate frames / slow down movie
- Duplicate option in fftk
- Duplicate VMD-L emails...
- duplicating an equilibrated system with psfgen
- duration of video mpeg
- dx file format
- DX potential files
- Dynamic 'Determine file type' list in main menu !?!
- dynamic atom selection
- Dynamic atomselect
- Dynamic bond calculation
- dynamic bond making/breaking formats
- Dynamic bond representations
- dynamic bonding
- Dynamic bonds across PBC
- Dynamic bonds and H2 molecules.
- Dynamic bonds for amorphous silicon carbide?
- Dynamic Bonds Question
- dynamic bonds question??
- dynamic coloring
- dynamic cross correlation map
- dynamic cross-correlation Map(DCCM)?
- Dynamic lines
- Dynamic molecular connectivity
- Dynamic number of atoms visualization
- Dynamic selection of residues in a trajectory
- Dynamic selection of residues on a trajectory
- Dynamical bond rendering
- dynamical list of atoms
- Dynamical Network Analysis
- Dynamical Network Analysis (Network View) -- Please help
- Dynamical Network Analysis (NetworkView): Changing contact cutoff values for edges
- Dynamical Network Analysis -- Question on Nodes and Restrictions
- dynamical network analysis on GROMACS trajectories
- Dynamical Network Analysis programs gncommunities and subopt
- Dynamical network analysis-NetworkView
- Dynamical network analysis-NetworkView-error
- dynamically changing label...
- Dynamically displaying the length of hydrogen bonds
- Dynamically updating water colors for each frame of a trajectory
- DynamicBonding
- DynamicBonds representation
- E-D stereo glasses
- Early access to VMD builds with full-time interactive ray tracing display mode (Tachyon RTX RTRT)
- Early bird extended! ISQBP2016 meeting - Bergen Norway
- Early VMD 1.9.4 alpha builds for MacOS X Catalina (e.g., 10.15.4)
- Easy way to add hydrogens and get their internal coordinates?
- easy way to adjust dihedral angles?
- ed and vmd
- edit pdb file
- editing distance.tcl
- Editing in Molefacture plugin by importing pdb file
- ehrenfest dynamics
- eigen values
- Eigen values of Moment of Intertia Tensor
- EIGENVECTOR ANALYSIS
- Elastic Properties
- electric field
- Electron density
- Electron Density Map Display
- electron density map is shifted?
- Electron density profile
- Electron microscopy surface with VMD?
- Electrostatic - PMEpot
- electrostatic energy
- Electrostatic interaction calculations using the NAMD Energy Plugin and PME
- electrostatic map render problem
- electrostatic potential
- electrostatic potential along channel axis
- Electrostatic potential mapping
- Electrostatic potential maps
- electrostatic potential maps in vmd
- electrostatic potential maps.
- Electrostatic Potential membrane pores
- Electrostatic potential values
- element Si
- eliminate atoms from psf and pdb files
- ellipsoidal particles
- Elliptic molecules
- embed a protein that includes a ligand into the membrane
- embed VMD in web page
- embedding proteins in membrane: child killed: segmentation violation
- Empirical force fields: release new version of RED Server Dev/PyRED
- Empty Extension menu on OSX
- enable direct rendering DRI on fedora core 2
- Enabling a menu on the top level
- enantiomers
- Energy
- Energy based coloring of residues
- Energy between desired selected molecules
- energy calculation in VMD
- Energy contribution analysis
- energy minimization of a trajectory with vmd+namd
- energy partitioning
- Energy plot script
- Enhanced Sampling and Free-Energy Calculations Lectures
- entropy calculation
- entropy calculation by g_anaeig
- entropy calculations
- Epsilon, Rmin for copper ions
- EPYC and GTX selection for VMD and NAMD
- equilibrating a membrane patch
- Equivalent Mouse Capabilities to Tracker CAVELib
- Erro compiling vmd and or fltk
- ERROR
- Error "vecscale: parameters must have data" in water interaction step of FFTK
- Error (bug?) with Simulated annealing in FFTK-Bond/Angle opt
- Error (incompatible tcl8.5.so) when installing VMD plugins
- error - with unknown atom type +CA
- error 1114 when loading plugins
- Error 1327.Invalid Drive: F
- error : invalid command name "psfgen" in 6pti tutorial
- Error : Lammps-data file error after merging two structures.
- error after changing of PYTHONPATH variable
- Error at Dihedral Optimization using fftk
- error Autoimd
- Error building VMD plugins from CVS 21.08.2012
- Error compiling 1.9.3 with CUDA
- Error compiling trio
- Error connecting to localhost on port 3000 and IMD connection ended unexpectedly; connection terminated.
- Error defining "clusters" in NetworkView?
- error during creat .psf file
- error during membrane mixing: can't read "toplist": no such variable
- Error during minimizazion - Number of atoms in fixed atoms PDB...
- error during the Gaussian optimization of the Water interaction in fftk
- Error during Water interaction data generation using gaussian following ffTK screencast
- Error Encountered in making vmdmovie
- Error encountered when quitting VMD on the Mac
- Error generating psf files
- Error in "measure fit"
- error in analyse fep simulation (parse fep)
- Error in building a psf file for nanoparticle
- Error in changing on screen options of VMD
- Error in charge optimization
- Error in coordinate information of PDB file after merging
- Error in disulfide bond identification in AutoPSF
- Error in FFTK charges optimization (Run Optimization)
- Error in fftk during bond opt using VMD 1.9.3
- Error in Linux
- Error in Loading atom_style hybrid LAMMPS data file in VMD
- Error in loading large trajectories
- error in loading psf file generated from lammps data file.
- Error in merging manipulated graphene sheet (generate with VMD and manipulate with Hyperchem) with protein
- Error in merging two PDB files
- Error in merging two PSFs and PDBs using a TCL script
- error in merging two structures
- Error in modifying and concatenating two pdb files into one [plz Help!]
- Error in Molefacture 2.0: Unable to write PSF and PDB files
- error in movie generator
- Error in NAMD energy plugin of VMD
- Error in NAMD plot
- Error in PCA analysis
- Error in porcupine plot
- Error in PSFGEN
- error in psfgen file
- Error in RATTLE algorithm
- error in rbcg-2007.par file
- Error in reading data file
- error in reading Gaussian log file
- error in rmsd.tcl for tutorial
- Error in running VMD on AMD64-bit machine (Fedora Core 4)
- Error in tcl script
- error in the conversion of dcd to pdb files
- Error in visualizing the 5 prime end of DNA strand
- Error installing VMD 1.8.5.
- Error loading .cor files from CHARMM using dcd
- Error loading .phi file
- error loading dcd
- error loading dcd file on Windows XP
- error loading PDB
- error loading pdb files
- Error merging the pdbs and psfs
- Error message -" cannot find NAMD binary files" during parameterization using FFTK plugin.
- Error message disappears before I can read it!
- error message from IED
- Error message in VMD console when I try to switch to Python mode.
- error message MultiSeq - sequence alignement
- error message occurred in RMSD Trajectory Tool
- error message using gofr
- error messages "*** glibc detected *** free(): invalid pointer"
- Error of NAMD simulation when the structure including azide
- Error on DNA
- Error on fftk while optimizing bonded parameters
- Error on VMD Tkconsole : syntax error near unexpected token
- Error on VMD2 startup: cannot source vmdinit.tcl
- error processing angles
- Error processing bonds
- Error psfgen
- error python
- Error Qbug=3F=29=20with=20Simulated=20anne?= aling in FFTK-Bond/Angle opt
- Error Qbug=3F=29=20with=20Simulated=20annealing=20in?= QFFTK-Bond/Angle=20opt?=
- Error reading fep.tcl file in namd
- Error running IED
- Error running IED with VMD
- Error Running NAMD
- Error saying "too many open files"
- Error starting second VMD
- Error tachyon rendering Mac Catalina
- error using Molecule.save() (vmd python)
- error using Namdenergy
- Error using namdstat.tcl script
- Error using psfgen "unknown residue type SOD"
- Error vmd and Nvidia Graphik Card
- Error when compiling Plugins from source code
- Error when compiling plugins: tcl.h not found
- Error when find salt bridges
- Error when loading log files into ffTK Torsion Explorer
- error when making a movie
- Error when opening the VMD.exe (Window 8)
- Error when running ied.py
- error when solvating a system
- error when solvating protein/vmd1.8.4a22
- Error when using orient command
- Error while calculating rotational angle
- Error while compiling vmd: "libmolfile_plugin.h"
- error while generating a tetramer using transformation matrix
- error while loading shared libraries: libcudart.so.4
- error while loading shared libraries: libGLU.so.1
- Error while making th trajectory movie
- Error while merging structures
- Error while opening dump file
- Error while running NAMD after using patch in psfgen
- Error while running scripts: terminate called after throwing an instance of 'std::bad_alloc'
- Error while running steered MD script
- error while trying to run the first tutorial for NAMD using VMD
- Error while using Alanine Scanning Plugin
- ERROR while using PSF builder
- Error with CaFE VMD Plugin
- Error with Catdcd
- Error with initiation of additional production simulation using Qwikmd
- error with make movie
- Error with NAMD Energy
- Error with PCA Calculation using Normal Mode Wizard
- Error with RESP in ffTK
- Error with show_replicas.vmd
- Error with stride
- error with top2psf
- error with tutorial beginer required help
- ERROR) Error reading bond information.
- ERROR) Failed to create Surf atom radii input file
- ERROR) measure gofr: bad frame range given. max
- ERROR) Tcl startup error: Can't find a usable init.tcl in the following directories:
- ERROR) Unable to change color name
- Error, Tk option requires Tcl
- Error- Periodic cell
- error. Autoimd
- error: can't read "w" no such variable.
- Error: failed on end of segment with RBCG
- ERROR: graphics: color index value '1057' out of range
- Error: invalid command name "voltool"
- Error: Maximum number of bonds exceeded
- Error: not possible to build nodeSelString: () and ()
- error: too many open files
- ERROR: UNABLE TO FIND IMPROPER PARAMETERS Inquiry
- Error: vecscale: parameters must have data
- Errors at Charge Opt. (Charge-2 step from FFTK Screencast)
- Errors compiling VMD on 1.8.3 on Solaris x86
- Errors in display
- Errors in exporting average structure to a .pdb file
- Errors in FFTK during bond opt using VMD 1.9.4a37
- errors starting vmd 1.9.3
- Errors using 'replicateCrystal.tcl' tutorial script
- errors with using surf and MSMS representations
- ESPResSo Summer School
- essential dynamics visualization in VMD
- ethanol solvation box
- eTimeBanker Bill Pay Service
- Etiquette, please.
- euler angles
- Euro QSAR 2004
- everything grey with glsl
- exact number of solvent molecule in simulation box
- Exactly align view direction to coordinate axes
- Example tutorial
- Exceeded maximum number of bonds
- Exceeded maximum number of bonds (8)
- exclude residues
- excluding atoms
- Executing ORCA within ffTK Opt Geometry Tab Inquiry
- Exelent quality watch
- Exocyclic dihedral
- experience using VMD with 3-D printers?
- Experience with Asus Netbook
- Explain Script
- explicit secondary structure
- Export problem Licorice to STL
- export Ramachandran datas
- export trajectory all frames coordinates to numpy array
- Export VMD graphics to POV-Ray
- Exported POSCAR does not match original
- exporting 3D model of a volume-based colored mesh
- Exporting a protein surface into a mesh (plain text file)
- Exporting Average Structure to .pdb file
- exporting marching cubes data from QuickSurf
- Exporting VMD images to Alias
- exporting xyz file
- Exposed area of a particular residue from dehydrated trajectory
- extended system file not found
- extended xyz
- Extension crashes
- Extensions menu empty
- Extensions menu is blank
- Extensions not working
- Extensions question
- Extensions to the selection language
- external ???
- external field application
- external force
- External renderer not rendering colors from volumetric data
- Extra bond in TIP3 water
- extra characters
- Extra lines shown in trajectories in VMD
- extrabonds
- Extrabonds issue
- Extracellular Salt Bridges
- extract centers et radii of beads model
- extract certain part of atoms into separate file
- Extract coordinates from a pdb file
- extract euler angles from transformation matrix?
- Extract Most Frequently found structure
- Extract parameters of Shape-based Coarse Graining model from AA simulation
- Extract specific frames from trajectory
- extracting 1-D data from a volumetric file
- Extracting chi angles / Saving coordinate with a script
- Extracting complex of protein-ligand+water from every frame of DCD trajectory
- Extracting complex of protein-ligand+water from every frame of DCD trajectory. .
- Extracting coordinates from DCD file to a single PDB file
- extracting distances
- Extracting Entropies and Enthalpies With The ParseFEP Plugin Using SOS or BAR
- extracting grid points from an isosurface
- Extracting hydrogen bond information of water
- Extracting IR spectra from trajectories
- extracting values from a dx file
- Extracting velocity information from .gro or .trr files
- Extracting Voxel-based or STL from QuickSurf Representation
- extraction of bound water molecules in a trajectory
- Eye position / camera position
- faced error in operating vmd
- fading rep scripts
- Failed to compile VMD 1.9.2 on OSX 10.9
- Failed to create Optix rendering context ERROR: Invalid value (OptiXRenderer.C:1214
- Failing to load AMBER parameter files in VMD
- Failure getting correct charge on the system
- Failure of autopsf with modified nucleotides
- Failure of AutoSCFBuilder to recognize all monomers
- failure of charge optimization by fftk
- Failure to open PDB files
- Failure to run tcl script at the mainframe
- Failure with AutoPSF (PDB has x, y, z zero)
- Fake angles created by AutoPSF
- Fake Guru Hamid Arabnia and bogus WORLDCOMP and CSCI
- Famous repl1ca w4tches r0lex Cartier Bvlgari
- fancy representations for lipids?
- Farewell VMD
- Fast PBC wrapping
- Fast PBC wrapping in VMD
- Fast routines for distance evaluations using PBC.
- fasta2pdb
- Faster secondary structure assignment
- Faster vector computations in Tcl
- FATAL ERROR: ABNORMAL EOF FOUND - buffer=*0 0*
- FATAL ERROR: DIDN'T FIND vdW PARAMETER FOR ATOM TYPE OE
- FATAL ERROR: DIDN'T FIND vdW PARAMETER FOR ATOM TYPE OT
- FATAL ERROR: UNABLE TO FIND ANGLE PARAMETERS FOR HB2 CT1 NH3 (ATOMS 1 5 8)
- FATAL ERROR: UNABLE TO FIND BOND PARAMETERS FOR CD2R6A LPA1
- Fatal error: Unable to find dihedral parameters
- FATAL ERROR: UNABLE TO FIND DIHEDRAL PARAMETERS FOR NH3 CT1 CT2A CT2 (ATOMS 1 5 7 10)
- FATAL ERROR: UNKNOWN PARAMETER IN CHARMM PARAMETER FILE toppar_water_ions.str LINE=*set nat ?NATC*
- favorite VMD material settings?
- FC4 stereo problems
- feature request
- Feature request for vmd 1.8
- Feature request: "Apply to all molecules" option in graphical representation window
- Feature request: capturing tool location and steering forces in IMD trajectory
- Feature request: Change printf( to fprintf(stderr, in molfile plugins
- Feature request: modify several representations at the same time
- Feature request: output to Blender 3D modelling software
- Feature request: PBC from CHARMM DCD files
- Feature request: read environment to set FreeVR lib, include paths
- Feature Request: Stride on vmd commandline startup
- Feature suggestion: "glow" representation
- Fedora 20 x86_64 + ibus + sazanami fonts + GNOME => VMD 1.9.1 crashes
- fedora core 4 install problem
- fedora core 5 and VMD 1.8.4
- feedback on pc-over-ip technology?
- Feedback wanted from Linux VMD users with ATI/AMD graphics chipsets
- FEP Energy very high: Mutual exclusion of atoms
- FEP simulation analysis error
- FEP tutorial plot error
- FEP with intermediary segments
- few colors in new ribbons representation - raytrace output
- FF parameters for EtSNO
- FfTK
- ffTK & transition metals
- FFTK - bond parameters
- FFTK - Dihedral doesn't fit the QM target data
- FFTK - issue after hessian loading during bonds/angles optimization
- fftk - MM/QM distances not converging
- fftk - Opt-charges
- fftk - Opt. Torsion
- FFTK - ORCA
- FFTK - Step -3 missing log file.
- FFTK abort charge calculation.
- FFTK about Water Interaction
- FFTK and CGenFF
- fftk and charmmgui vdW parameters
- ffTK and geometry optimization level
- fftk and impropers
- FFTK and the divide and conquer strategy
- FFTK Angle optimization error
- FFTK Atom types
- fftk autoDetect indices and
- FFTK baOpt electronic effects
- fftk Bond guassian input for hessian calculation
- FFTK Bond optimization
- FFTK bond optimization +idlepoll request
- FFTK Bond/Angle Optimization issue with namd2
- fftk bonded and dihedral optimization question
- fftk bonded parameter optimization
- FFTK bonded parameter optimization with ORCA
- ffTK Calc Bonded Tab gbw file not recognized INQUIRY
- FFTK Calc. Bonded ORCA Issue
- ffTK can't use empty string as operand of "*" vmd194a53win64-SetupV7.exe
- FFTK Characterising Distortions
- FFTK Charge Opt Indoles
- FFTK charge optimisation does not converge
- FFTK charge optimisation: ORCA issue - cant use empty string as an operand of '*'
- FFTK Charge Optimization
- FFTK charge optimization - COLP
- ffTK charge optimization error
- FFTK charge optimization of one charge group
- fftk charge optimization option
- FFTK Charge Optimization Target Data
- ffTK charge optimizations
- fftk charge validation
- FFTK dihedral fitting
- ffTK dihedral fitting question and cmap derivation
- FFTK Dihedral Optimization Error
- FFTK dihedral parametrization
- FFTK dihedral paramterization
- FFTK dihedral scan
- FFTK dihedral scan discontinuities
- FFTK dihedrals and problematic intermolecular H-bonds
- fftk dihedrals error
- FFTK Dihedrals Opt - Multiplicity modification
- FFTK Diherdal Scan error
- FFTK error - empty string not an operand of *
- ffTK FATAL ERROR: UNABLE TO FIND IMPROPER PARAMETERS Inquiry
- ffTK fitting dihedrals
- FFTK for adjusting partial charge only
- FFTK for diazonium-modified tyrosine
- FFTK Fragment Charge Opt.
- FFTK Gaussian Input Generator - Bug?
- FFTK gaussian log
- ffTK generated Gaussian file puts "atoms too close" and Gaussian fails to run
- FFTk GUI unresponsive
- ffTK has halted on error. The optimizer has returned an empty result, indicating an abnormal termination.
- ffTK Hessian calculation error outputting to Gaussian input
- ffTK HF/6-31G Base Set QM or a Different QM Base Set?
- fftk Improper fitting
- ffTK in the just released VMD 1.9.1
- FFTK initial par file is empty
- ffTK Inquiry
- FFTK Issue: Not able to visualize dihedral scan
- FFTK kList no such variable
- ffTK Load Dihedral Scan Output for Visualization Inquiry
- FFTK measure bond error
- FFTK most probably doesn't work with molecules containing new atom types
- ffTK Opt Charge APPLICATION HALTING ON ERROR Inquiry
- ffTK Opt Charges Tab QM Target Data Section OUTPUT FILES Inquiry
- ffTK Opt Torsions .log file input Inquiry
- FFTK Opt Torsions MM Trajectory
- ffTK Opt Torsions Refine Section EDIT ENTRY SECTION PROBLEM
- ffTK Opt Torsions Refine Section i.e. PERIODICITY, PHASE SHIFT Values?
- ffTK Opt Torsions Tab Hysteresis Problem in the QM Calculation Inquiry or Phase Periodicity error?
- FFTK Opt Torsions: can not find channel named ""
- ffTK Opt. Charge Run Optimization Error PSF File Problem INQUIRY
- ffTK Opt. Charge Run QM Target Data WATER INTERACTION ENERGY DATA INQUIRY
- fftk Opt. Charges
- FFTK Opt. Torsions End of File Issue
- FFTK Opt.Bonded error: unmatched open quote in list
- FFTK OptCharges
- fftk optimization of bonded parameters + Error: missing close-bracket
- ffTK Parameter Selection i.e. just Scan and Opt Torsion Selection Viable?
- FFTK Parameterization of Halogenated Molecule
- FFTK partial charge assignment weak acid ONOH (HNO2) - Water Shift settings
- FFTK partial charges against water
- FFTK plugin, Water Inter issue
- FFTK plugin: domain error: argument not in valid range
- FFTK plugin: in which order should the components be run?
- FFTK Possible Bug
- fftk problem - opt_bonded
- fftk problem in opt. bonded step
- ffTK problem: initial parameter file is void of atoms!
- ffTK problem: OPT.Charges
- ffTK problems with Gaussian OPT
- FFTK question regarding dihedral fitting
- FFTK scan torsions aromatics
- ffTK Scan Torsions Generate Dihedral Scan Input OUTPUT Inquiry
- FFTK scan torsions MP2 vs RHF
- FFTK scan torsions question
- ffTK Scan Torsions Scan +/-and Step Size Inquiry which are Best Values?
- FFTK segmentation fault when guessing charge groups
- fftk source code
- FFTK sulfur ChargeOpt
- ffTK Tabs for Just Dihedral Optimization Can I Just Use Scan and Opt Tabs Inquiry?
- ffTK torsion scan?
- FFTK Tutorial Charge Opt Question
- FFTK Update Parameter File with Optimized Parameters - fails?
- ffTk user feature request
- fftk using Terachem?
- ffTK vmd Index Atom Numbering via ORCA .inp and .out Files Inquiry
- FFTK VMD plugin issue (arising from VECSCALE TCL issues of either NAMD or VMD ?)
- fftk wat. opt. when charges overlap
- ffTK Water Int Tab .inp File dropping the Charge Value from -2 to 0 Inquiry?
- ffTK Water Int Tab .inp File Flipping a Waters Coordinates Inquiry
- ffTK Water Int tab generated .inp Charge 0 Mult 1 INQUIRY?
- ffTK Water Int Tab Optimization INTERACTION DISTANCE INQUIRY
- FFTK Water Interaction
- fftk water interaction questions
- ffTK Water Interactions Ligand Atom Hydrogen Bond Acceptors Acting as Donors Inquiry
- FFTK water molecules overlapped and charge optimisation error
- FFTK work's with molecules containing new atom types
- fftk, charge optimization, fragmentation
- FFTk, dihedral optimization
- fftk, ORCA, Bond and Angle Optimization, error As a subsequent Frequencies calculation has been requested
- FFTK, pyrrolidine parametrization bonded parameters- issue with Hessian
- FFTK, recognize wildcard atom types in forcefields
- FFTK, regarding
- fftk-bonded-opt problem
- fftk-charges
- FFTK-Opt.Bonded-empty string error_VMD1.9.2Beta
- FFTK-optimization error
- fftk-Tutorial Writing psf and pdb files from a CGenFF .str File Inquiry
- FFTK... and now gaussian version or QMtool problem
- FFTK: bond and angle parameters
- FFTK: Charge Optimisation partial charges
- ffTK: Charge optimization
- FFTK: Charge Optimization (Water Int.)
- ffTK: COLP (Charge Optimization Log Plotter)
- FFTK: dihedral containing hydrogen?
- FFTK: Dihedral scan trans/cis
- fftk: domain error: argument not in valid range
- FFTk: donor water escape during optimization
- FFTK: Error when optimizing charges
- ffTK: How to determine the optimized bond and angle parameters
- ffTK: neutral pyruvate group and charged pyruvate group at beta-D-mannose
- FFTK: Obj value in bond optimization
- FFTK: Opt Bonded error
- FFTK: Opt. Charges Error
- fftk: prepare from CGENFF and improper
- FFTK: Running optimizations in batch?
- FFTK: Water Interactions, Steric Clashes
- FFTK: What is the correct charge calculation setup for carbonyl compounds
- fglrx driver workaround?
- FieldLines
- fiiting
- file "top_all22_prot.inp"
- File as video
- file bigger than 2GB
- File conversion for from Amber to Charmm
- File Format
- File format of DCD Trajectory file
- file format of VMD
- file output issue
- File owner/group settings after installing precompiled VMD.
- File patterns
- File Reader Plugin Issues
- File Selector in VMD1.6a1
- File size limits
- file splitting
- File to benchmark a new GPU system
- file type specification question
- file.dat and file.out from AMBER
- files
- Files closing/Memory issues in VMD
- files for air
- Files not written during OptiX ray tracing
- Filetype for Kinetic Monte Carlo
- find avgstruct
- Find Hydrogens not participating in H-bond
- find neighbour ligand-protein
- Finding .vmdrc in LINUX(UBUNTU)
- Finding atoms in protein-lipid system having electrostatic interaction
- finding charges and diameters
- finding distance of atoms
- Finding gas migration pathways in protein using ILS method.
- Finding Local Kinetic Energy or Velocities
- finding number of atoms within a radius
- Finding particles that are close
- Finding residues involved in Hbonds.
- Finding residues with some distance
- Finding resname without using atomselect?
- Finding RMSD of atoms
- Finding the length of multiple small molecules
- Finding the Number of Chains Present via Scripting
- finding water around protein
- Finding waters near a protein
- First "Hands-On" Workshop on Structural DNA Nanotechnology
- fit dcd is not converging
- Fit function
- fit.tcl
- fitting
- fitting a line to 3D data points
- Fitting simple geometric objects to a molecule ?
- fitting structure to map generated by Volmap
- Fitting trajectory frames to another molecule
- Fix for SELinux breaking VMD on FC5
- Fix the Header of DCD File After Merging Multiple Trajectories
- fix the viewing angles
- Fixed atoms
- Fixed atoms question
- Fixed number of solvatation water
- fixing a molecule
- Fixing CAVE Functionality
- Fixing coordinates for visualization
- Fixing Martini PSF
- Fixing Memory Overflow Issue with LJ Parameter Assignment
- Fixing the rotation of complex during trajectory visualization
- Fixing the View in a Movie
- Fixing VMD build with recent FLTK on macOS
- flashing the VMD
- flasshing the VMD
- Flexible Water molecules
- Flickering display when running remotely
- flip the sheet using transaxis command
- flipping a .inp file for a water interaction INQUIRY
- Flipping a molecule around its geometrical center
- Flipping vector in orient
- floating error - tcl script
- Flow Fields
- FLTK fonts
- Flying metal ion in QWIKMD ( NAMD/ORCA) QM/MM
- Focal blur with Tachyon
- focusing on a residue
- follow up
- follow-up of "new VMD plugin for H5MD file format"
- Follow-up to PME question
- follow-up to previous message
- followup: atomselect one liner
- font size
- Font size of the colorbar legends and rotation of the colorscale bar
- fonts for paratool
- For calculating the number of osmolytes molecules
- For loops decelerate
- for surface area calculation
- For Users of VMD
- Force extension from SMD log file
- Force field atom types
- Force field tool kit - calculation of enthalpy of vaporization
- force field tool kit - error in the step of tutorial charges optimization 2-using vmd1.9.1
- Force field tool kit - missing close brackets-vmd version 1.9.2
- Force Field Toolkit (ffTK)
- Force field toolkit (ffTK) - problem of reading Gaussian log file
- Force Field ToolKit - Angles
- Force Field ToolKit and QM codes other than Gaussian
- Force Field Toolkit: scaling, weight etc
- force over selection
- Forcing FFTK to treat aminos as planar
- format I should use if I have different total number of atoms for each timesteps
- format of pdb file
- Format of the axes
- Formation of a gold layer
- Formation of a nanoparticle-ligand complex
- Formats supported by animate write file_type
- Formatting labels in script
- Formatting of text in label
- fortran bindings for molfile library
- fortran/tcl
- Found bad contact
- FPR monitor+glasses
- FPS indicator color
- Fragment determination
- Fragment search method
- Fragments
- Frame creation
- frame number input in tcl and direct mol graph display update
- frame number input in tcl and direct mol graph display update (II)
- Frame out of range when trying to edit .psf
- Frames-Movie
- Free Cluster-Building Workshops - 16-17 Mar 2006, 20-21 Apr 2006
- Free Energy Perturbation Analysis using VMD
- Free Energy Workshop, Münster, March 9-11, 2015
- Free Linux Cluster-Building Workshop - 30 Nov 2006 - 01 Dec 2006
- free sample!!!
- Free software for building peptide
- Free Trial of New Toxicity Prediction Software (LD50, MRDD, side effects) is now available
- Free Webinar: Vendor Neutral Intro to Data Mining for Absolute Beginners, January 26, 2007
- FreeBSD port
- freevr tool transformation
- FreeVR wand
- frequecy of inter-residue contact
- from points to a surface ?
- From Vmd to lammps data file
- ftp failed
- full version OEM soft
- Full-Screen display
- Fullerene coordinates
- Fullscreen mode in VMD
- Fully Visual Docker Container for VMD
- function returned by atomselect; use global atomselect function from proc scope
- Functional Groups
- Functionalizing
- Funnel metadynamics
- Funny tcl/tk script behavior....
- Further angle question
- Fusing proteins together
- Fwd:
- Fwd: "cuda error cudastreamcreate",
- Fwd: (my) problems using molefacture dihedral
- Fwd: -samples flag of measure sasa
- Fwd: .pdbqt file type
- Fwd: [ACS award information, March 30 deadline]
- Fwd: [multiple topology files and resetpsf]
- Fwd: ACS awards
- Fwd: ACS awards information
- Fwd: adding calcium atom to the nmr structure
- Fwd: Align specific residues of two structures
- Fwd: Announce: STRAP
- Fwd: APBS on each frame
- Fwd: APBS on each frame -> ON FLY ANALYSIS
- Fwd: ATOM LPH
- Fwd: atom serial number
- Fwd: autopsf error: failed on end of segment
- Fwd: autopsf with many modifiers
- Fwd: autopsf-patches C++ error 'expected integer but got "" ""' SOLVED, MY FAULT
- Fwd: autopsfgen looking for wrong angle
- Fwd: bond lengths and angle display
- Fwd: Bypassing MM parameterization of ligand in QMMM
- Fwd: calculation hydrogen bond.
- Fwd: Calculation the Surface Area/Volume of a Protein Cavity
- Fwd: catdcd error opening reading index file
- Fwd: CG lipid bilayer vmd 1.8.7
- Fwd: charmmgen to autopsf
- Fwd: Compile / Configure VMD with the Oculus Rift DK2
- Fwd: Compiling VMD with python interpreter on MacOSX
- Fwd: Compute angle between 2 principal axis
- Fwd: convert prmtop to psf
- Fwd: Copper ions paratool
- Fwd: couldn't execute "psfgen": no such file or directory
- Fwd: Crystal eyes stereo on un supported Mac G5 GeForce FX5200
- Fwd: dcd file uploading problem
- Fwd: Diffusion coefficient calculation
- Fwd: Digest
- Fwd: Dihedral fitting -FFTK-shift in minima
- Fwd: Displaying residue name in simulation movie
- Fwd: distance using pbc
- Fwd: Dowser plugin: Error message
- Fwd: Electrostatic potential maps
- Fwd: Extensions not working
- Fwd: Failure of autopsf with modified nucleotides
- Fwd: Failure of AutoSCFBuilder to recognize all monomers
- Fwd: Failure with AutoPSF (PDB has x, y, z zero)
- Fwd: Fake angles created by AutoPSF
- Fwd: FATAL ERROR: DIDN'T FIND vdW PARAMETER FOR ATOM TYPE OT
- Fwd: FEP with intermediary segments
- Fwd: FFTK about Water Interaction
- Fwd: FFTK and CGenFF
- Fwd: FFTK Atom types
- Fwd: FFTK plugin, Water Inter issue
- Fwd: ffTK problems with Gaussian OPT
- Fwd: FFTK scan torsions aromatics
- Fwd: ffTk, regarding
- Fwd: fixed atoms_creating psf with out change in pdb
- Fwd: Fwd: autopsf with many modifiers
- Fwd: Fwd: Electrostatic potential maps
- Fwd: Fwd: Fake angles created by AutoPSF
- Fwd: Fwd: FFTK scan torsions aromatics
- Fwd: Fwd: Fwd: Electrostatic potential maps
- Fwd: Fwd: namd-l: impropers for protonated 1-methyladenosine
- Fwd: Fwd: ParseFEP for restating FEP
- Fwd: Fwd: Visulizing subunits
- Fwd: generating COORDINATE FILES
- Fwd: GROMOS to AMBER and reverse
- Fwd: hbond analysis
- Fwd: High quality movies, bmp frames and videomach=poor quality
- Fwd: How can I get the path of the TOP molecule in the tcl console?
- Fwd: How find water mediated hydrogen bond
- Fwd: How to pick up the lost periodic information?
- Fwd: hydrogen bond calculations
- Fwd: Initial configuration reorientation
- Fwd: Inviting applications for a new PhD program in Quantitative Biosciences at Georgia Tech
- Fwd: ISQBP 2016 meeting - registration opened!
- Fwd: issue with protein- ligand psfgen
- Fwd: Klaus Schulten Memorial Symposium, registration and accommodation
- Fwd: linux FC3 VMD vs insightII conflict
- Fwd: Linux installation issue
- Fwd: making psf files
- Fwd: matching part of two models
- Fwd: memory overflow problem of Tcl scripting when dealing with trajectories(sorry for cross mailing...)
- Fwd: MOE discussion
- Fwd: N-glycosylation in AutoPSF
- Fwd: namd-l: About "add solvation"
- Fwd: namd-l: Free Energy Workshop, Münster, March 9-11, 2015
- Fwd: namd-l: hBond component in colvars and patching
- Fwd: namd-l: Modifying the equilibrium distance for a specific region of carbon nanotube in the parameter file
- Fwd: namd-l: water permeation through nanotube in lipid bilayer
- Fwd: namd-l: Why RDF increases as r increase instead of constant
- Fwd: NAMDEnergy fails to locate supporting files
- Fwd: Naming Atoms in VMD
- Fwd: obscurity in sbcg tutorial description
- Fwd: paratool - parameter generation from gaussian log files
- Fwd: parseFEP domain error
- Fwd: ParseFEP for restating FEP
- Fwd: pbc wrap issue
- Fwd: PDB Bonds versus "distance" bonds
- Fwd: Pdb file generation,bad water removal and coordinates of psf.
- Fwd: peptide builder
- Fwd: Postdoctoral position available in Molecular Modeling
- Fwd: Problem building vmd with ospray - OSPRayRenderer.h error: ???OSPModel??? does not name a typ
- Fwd: Problem building vmd with ospray - OSPRayRenderer.h error: ‘OSPModel’ does not name a typ
- Fwd: Problem with cartoon and secondary structure
- Fwd: Problem with Loading Bond Angle Optimization Gaussian .log file into the fftk
- Fwd: Problem with merging structures!( psfgen) Warning: failed to set coordinate for atom AU0 AU:1 A)
- Fwd: Problem with QwikMD analysis
- Fwd: problemas con la opt de los enlaces
- Fwd: Problems with charmm36 modified nucleotides for psfgen and namd
- Fwd: Protein backbone representation for non standard residues / molecules
- Fwd: psfgen patching protein-ligand
- Fwd: Query for eliminating proteins with unusual amino acids
- Fwd: Question regarding HBond analysis
- Fwd: Reading chemical bonds by VMD from AMBER parm7 files
- Fwd: regarding FFTK
- Fwd: Removing all non polar hydrogens
- Fwd: Research Position at Acellera, Barcelona
- Fwd: Restraining selected atoms with multimer
- Fwd: Restraints on coarse grained model
- Fwd: RMSD pluging error
- Fwd: Saved project and paratool
- Fwd: sbcg with multimers
- Fwd: scripts CGTools
- Fwd: Segmentation fault (core dump)
- Fwd: spacial distribution function
- Fwd: superimposing molecules
- Fwd: Tcl script
- Fwd: Termination when using QuickSurf, libGL no version info, and CUDA Error in start up
- Fwd: TIP4P and CHARMM27
- Fwd: To delete some angles via VMD
- Fwd: To delete some atoms via VMD
- Fwd: Topotools to keep atomtypes same
- Fwd: topotools/topogromacs
- Fwd: trajectory_path.tcl queries
- Fwd: troubles with openGL
- Fwd: Unknown atom type CG205 with CGenFF by psfgen
- Fwd: unwap/wrap failure in recomposing splitted system from periodic cells
- Fwd: version 1.8.7 for amd64 and cg tools
- Fwd: Visualizing the displacement vector
- Fwd: Visulizing subunits
- Fwd: VMD 1.9.2 released!
- Fwd: VMD Compile problem
- Fwd: VMD Crash with Ubuntu 12.04 LTS and NVidia 310.44 driver.
- Fwd: vmd first installation
- Fwd: vmd installation Linux Debian i386
- Fwd: Vmd molecule rotation and translation
- Fwd: VMD Stereo does not work Quadbufferd
- Fwd: VMD Timeline Plug-in Selection in Hydrogen Bonds Calculations
- Fwd: vmd-1
- Fwd: vmd1.9.23 rlwrap: No match
- Fwd: Writing pdb without chain identifier
- FYI: (for OSX version) a document about shell script and applescript
- FYI: 1.8.6 runs full GLSL on AMD64
- FYI: cause of a common Windows VMD install error message...
- FYI: vmd & vrpn v7.0b5
- FYI:CCL:md rookie update (fwd)
- g(r)
- G(r) tcl script not including intramolecular correlations
- g03 output and editing features for VMD
- gamepad on linux?
- Gamepads and VMD (and MacOSX and ForceFeedback)
- GAMESS plugin bus error
- gamess plugin error of vmd 1.8.4a22 on windows
- gamess plugin error when using symmetry operations
- gamess plungin for PC Gamess
- Gamma Silicon Nitrite Crystal - Reg
- Gas migration pathway
- Gaussian *.log/out visualize
- Gaussian aborting during ffTK - Calc.Bonded
- Gaussian Cube file with VMD
- Gaussian Log File problem
- Gaussian run for ffTK: Solvation needed?
- Gaussian03 output
- Gaussian09 install on macOS Inquiry
- Gaussian16 support issue of ffTK
- gaussinan_log_file_error_can't use empty string as operand of "/"
- GBIS in NAMD 2.10 CUDA with IMD
- GBIS parameters
- Geforce 3 DRI crashes
- GeForce FX5800 and VMD 1.8.1
- General query on MD
- General question about the memory usage of VMD
- Generalisation of chirality plugin to handle chiral bonds spanning residues
- Generate a PSF file for small, simple molecules
- generate nanotube other than CNT
- generate parameter and topology file
- Generate psf file for cyclic peptide
- generate psf structure
- Generate QM Region Topology in QwikMD for metal ions to perform QM/MM
- generate surface figure
- Generate Trajectory using Gaussian Cube Files
- generated pdb file via vmd
- generatei psf file for a dimer protein
- Generatin PSF for alkanes
- generating
- Generating .top and .crd using VMD
- generating .xsc file from .dcd
- generating .xsc files using periodic information
- generating a huge number of water molecules
- Generating a psf file using VMD
- Generating a PSF for a Non-protien
- Generating an average structure from a trajectory
- generating autopsf
- generating COORDINATE FILES
- Generating Images for Several Structures
- generating images without shading
- generating lipid membrane psf file
- Generating more than 100,000 water molecules
- Generating nanotubes psf file
- Generating parameter file for Cl2-
- Generating parameter files
- generating psf file for a lipid: vmd looking for c-term and n-term ?
- generating PSF file for a small molecule
- generating psf files for bicarbonate
- Generating PSF for 1JNO.pdb chain A
- Generating PSF for several proteins in one shot
- Generating psf for uranyl ion
- Generating psfgen of multimeric protein complex
- Generating silanol group on silica
- Generating single amino acid using PSFGEN
- Generating Topo Bond Data from LAMMPS Data File
- Generating water transparency around a protein
- generation of amber topology of Carbon nanotube
- generation of psf of phenol
- genetaring psf file for HEME ( hemoglobin)
- Genrating psf
- geometric location of amino acids in proteins
- geometry optimization with SQM
- get "x y z" from smoothed coordinates
- get a PDB file from DCD file
- Get atoms in each ring
- get average coord. from .pdb file?
- get average structure from dcd file?
- get avg ca distance
- get charge
- get coordinates
- get coordinates for each frame in a trjectory
- Get empirical formula of fragment
- Get num. of residues
- Get number of fragments
- Get objects from precompiled VMD?
- Get one of these awesome replicas
- get Ramachadran plot using textmode
- get resisue names from atom index number
- get resname from resid
- Get the camera position
- get the coordinate of the mouse arrow
- get values from openDx grid format
- get view direction
- Get XST or XSC from NAMDenergy plugin?
- Get your w4tch now Villa
- Get your watch now
- getbonds for H-bonds request
- Getting (or changing) molinfo matrices
- getting centre of mass of contacts
- Getting coordinates
- Getting data as vector or matrix
- getting extra number of input file at the charge optimization phase/ ffTK
- getting heavy atom contacts
- Getting history and file completion to work in vmd console ?
- Getting list of arguments for TCL console
- getting list of correct indices?
- getting other variables out of LAMMPS ascii dump files
- Getting PSF in right format from .gro file
- getting python to work
- getting ramachandran plots with VMD
- Getting started with VMD/freeVR
- Getting the internal coordinates table
- Getting the topology,PSF files
- Getting trajectories from DCD files?
- Getting trajectories from DCD files?. .
- getting VMD to obey me
- Getting VMD to talk to VRPN on Windows 7
- Getting volumetric map from old Insight file into VMD-readable format
- giant spike in rmsd curve
- GL window offset problem
- Global Command to load 200 pdb files, without using script files
- GLSL Compile Error (VMD 1.8.4, Nvidia Driver 8762)
- GLSL error
- GLSL failure in VMD 1.8.5, Nvidia 6200 card
- GLSL lost
- GLSL or Clip plane
- GLSL rendering in VMD 1.8.6
- GLSL rendering mode is NOT available
- GLSL rendering problems
- GLSL rendering problems (??)
- GLSL rendering problems on MAC OS 10.8.5 (Intel Graphics Card)
- GLSL rendermode now OK on Linux with NVidia 8756 driver version
- GLSL with ATI 5750 in Mac OS X 10.6 / 64-bit build
- Glu-Lys Isopeptide Bond Parameters?
- GLXBadLargeRequest
- GLXBadLargeRequest and BadLength messages
- glycerol
- glycerol box
- Glycoprotein simulation
- Glycoprotein simulation answer
- Glycosphingolipids structure
- gmake invalid option --c install
- GNU-Darwin rides Tiger, packages back on-line
- GnuPlot works!
- gofr
- gofr between center of mass of a functional group and solvent
- gofr CUDA in script
- gofr limit, Kirkwood-Buff integrals
- gofr not full PBC length
- gofr with PBC
- gofr with periodic boundary condition in vasp trajectory
- GolP-CHARMM
- Gone until July 6th.
- gopython
- gopython with python3
- GPCR-Membrane Issue
- GPGPU Programming summer school at University of Tennessee, Aug 10-14.
- GPL compatible PluginMgr/vmddlopen
- GPU accelerated MD
- GPU acceleration
- GPU acceleration on tachyon rendering
- GPU choice for large systems
- GPU conf file
- GPU Programming workshop @ ICTP: deadline extended for participants not requiring visa and financial support
- GPU rendering of molecular orbitals
- GPU test machine
- GPU-accelerated ionization
- GPU-accelerated MSD calculation
- GPU-accelerated RDF Calculation
- Grab tool: picking problems
- Gradient Background
- gradient background not rendered
- graph button on label form
- Graphene
- Graphic card
- graphic representation
- graphic update
- Graphic window does not refresh
- graphical representation
- Graphical Representations doesn't recognize chain ID z
- graphical representations over a number of molecule files
- Graphics algorithm
- Graphics algorithm (fwd)
- Graphics algorithm II (fwd)
- graphics card
- Graphics card & Accelerator
- Graphics card for molecular graphics
- Graphics card for VMD
- Graphics card for VMD, number of atoms, file format
- Graphics card requirement for VMD
- Graphics card suitable for VMD
- Graphics cards
- graphics command displays shapes of unusual sizes
- graphics display works sometimes
- graphics for publication
- graphics in VMD and overlay
- Graphics Representation - Drawing methods
- Graphics Requirement for VMD
- Graphics workstation and Xenon problems with VMD?
- graphics: not enough parameters
- graphing a dihedral
- Grasp file format for VMD!!
- GRASP files
- Grasp output view format!
- GRASP plugin for VMD
- Grasp plugin...
- GRD file format
- grid
- GRID maps visualization problems
- grid mode in vmd?
- Grid spacing in mdff
- Gromacs analysis tools for Namd output
- Gromacs file formats gro, xtc and trr
- Gromacs index file
- Gromacs reading: Why scaling??
- gromacs to charmm conversion
- Gromacs trajectories in VMD
- gromacs trajectory file
- gromacs trajectory files
- Gromacs XTC reader broken in 1.8beta version
- gromos96 files
- group selection
- GTP and GDP parameter files
- GTP topology file
- Guessbonds and retype bonds
- GUI mod request
- gui RMSD vs text RMSD calcs differ b/c ddiff backbone atom definitions
- gyration radius for a trajectory
- gziped files
- H Bond Plug-in Questions
- H- bond
- H-atoms placed at the end in PDB file
- h-bond
- H-bond analysis
- H-bond angle
- H-Bond display in VMD
- H-bond distance measurement
- H-bond energy
- H-Bond in VMD
- H-bond life time
- H-bond occupancy
- H-bond plotting
- h-bond plugin with QMMM
- h-bond water molecules
- H-bonds
- H-Bonds not shown when loading by topo readlammpsdata
- H-bonds?
- H-H bond in solvate
- H-H dynamic bonds
- H.bond - VMD
- H2 bond distances calculation n displaying image
- H_Bonds
- Half of a dimer out of the box in a simulation
- Handful of rendering issues
- handling electron density maps (.mrc and .map files)
- Hands-On Workshop on Computational Biophysics: April 17-21 in Urbana, IL
- Hands-On Workshop on Computational Biophysics: May 30 - June 2 in Pittsburgh, PA
- Hands-On Workshop on Computational Biophysics: November 14-18 in Atlanta, GA
- Hands-On Workshop on Computational Biophysics: October 17-21 in Urbana, IL
- Hands-On Workshop on Integrative Modeling and Simulations
- Haptic devices for IMD
- haptic devices VMD/NAMD/IMD
- Haptic interface options
- haptic interfaces
- haptic interfaces && namd on clusters
- haptic/force feedback devices and 3D viz
- haptics device "novint falcon"
- hard ware stereo
- Hardware for NAMD / VMD machine
- hardware stereo with nVidia card
- harmonic constraint when equilibrate the system
- Has anyone done ILS successfully?
- Has anyone successfully executed ORCA instead of Gaussian for ffTK?
- having problem with disulfide bond
- Having problem with geometrical structure
- hbond
- Hbond analysis
- hbond calculation
- Hbond calculation - periodic atoms
- hbond calculations
- hBond colvars and patching
- hBond component in colvars and patching
- Hbond donor-acceptor distances
- Hbond extension
- Hbond in VMD
- Hbond per residue
- hbond questions
- Hbond rendering issue with VMD 1.9
- hbonds
- hbonds (how to count)
- Hbonds Analysis
- Hbonds Analysis.
- HBONDS bug?
- Hbonds calc with residue not in CHARMm
- Hbonds color in VMD
- hbonds count
- Hbonds counting script
- HBonds criterion
- Hbonds details every frame
- hbonds during trajectorywith vmd 1.8beta
- Hbonds for a specific frame
- HBonds from Desmond Trajectory
- HBonds Plugin - Hbonds criteria
- hbonds problem
- HBonds Representation
- HBonds representation draws bonds with atoms (Hs) not included in the selection
- hbonds time series
- hbonds vs measure hbonds
- hbonds vs time
- hbonds with noncommon atom names
- hbonds.tcl selection problem in command-line
- Head Tracking for Desktop VR Displays using the WiiRemote and VMD
- Head tracking with VRPN and VMD
- Headtracking software
- Heat capacity
- Heat mapper
- helical construction
- helical content script
- Helical King Angle
- Helical Tilt Angle
- helices in coil
- helicity score?
- helix axes
- helix axis for A-RNA
- helix content colvar for a 3-10 helix
- Helix display
- Helix motions
- helix orientation
- helix orientation angle
- Hello
- Hello!
- HELP
- Help about Contact Map plugin
- Help about Contact Map plugin. Still puzzled by atom selection.
- help for modification into a small tcl script
- Help for the CAVE
- Help in VMD
- help on making stereo diagram
- Help on MD animation with VMD
- Help on script
- help on trajectory density map
- help on writing a tcl script
- Help request regarding PBCTOOLs plugin in vmd
- Help using trajectory ca-distance script
- Help with "move" command
- Help with "move" command]
- help with animate read command
- help with badwater script
- help with BIOMT
- help with modifying script
- Help with psfgen
- Help with RDF calculation
- Help with running IED in VMD
- help with stereo viz on new samsung "3D" LCD and quadro card
- Help with Tcl script
- Help, my molecule is being destroyed
- help: i can not type words in hostname textbox in imd
- Help: Installation Problem
- HEME acting unplanar
- Heme PSF file generation and hydrogen peroxide parameter files
- Heme psfgen issue
- Hessian Error
- HETATM records are written as ATOM
- Hetero Chain not Recognized by Structure Manipulation Window
- Heteroatom entries
- heuristic bond computation
- hexagonal box
- Hexameric periodic box
- Hi
- Hi all,
- hi to all
- hide bonds
- hide/display VMD graphics primitives
- hiding and renaming of graphical objects
- hiding atoms outside the unit cell
- hiding or disabling some of the atom types
- HIERARCHY OF INTERACTIONS"
- High Bound charge values missing during charge optimization in FFTK
- High CPU usage with vmd-1.8.4b6 (99.9 %CPU ...) while using the FPS indicator
- High quality movies, bmp frames and videomach=poor quality
- high quality videos
- High res stl files
- high resolution images
- high resolution ps or eps picture
- high-dpi monitor issue
- High-end PC graphics boards for VMD...
- High-Res and Eye 3D glasses and SynthaGram Monitors
- Highlighting nearest atom ? (wrt to a tool)
- Highlighting nearest atom ? (wrt to a tool) (fwd from eugen@leitl.org)
- Hinge calculation in MD trajectory using Hingefind plug-in
- hingefind
- HIS Residue
- histidine protonation
- history in tcl/tk script
- hmassrepart
- Ho to save exactly the screen structure?
- HOLE output visualization
- HOLE PROGRAM
- Hole program for vmd hole tcl script
- HOLE-VMD installation
- hollow sphere
- Holo-Bench with VMD and Flystick2 and/or Phantom
- HOMO and LUMO visualization
- HOOMD plugin
- HOOMD problems
- hot keys & save state
- Hot repl1ca w4tches from 2008 Villa
- Hot replica watches from 2008
- Hotkeys don't work
- how add new plugin to vmd
- How autoionzie plugin works?
- How can a known point be moved to the origin of the screen?
- How can I add bonds ?
- How can I change the wireframe look
- how can I combine several selection into one selection by TCL
- How can I compile win32-vmd
- How can i connect molecules?
- How can I create the water Solvate in vmd
- How can I draw secondary structures if I only have the carbon alpha coordinates
- How can I easily show ball and stick residues across all molecules and representations?
- How can I find the rotation matrix information?
- How can I get .xyzr file or .xyzrn file?
- how can I get hole program
- How can I get the path of the TOP molecule in the tcl console?
- How can I incorporate non-natural amino acids into proteins?
- How can I make VMD use the correct graphics card in a Remote Desktop session?
- How can I measure bond length with $B!H(Bname ** and resid **" in scripts?
- How can I measure bond length with Q=80=9Cname_**_and_resid_**=22_in_scripts=3F?=
- How can I measure bond length with “name ** and resid **" in scripts?
- How can i obtain a force and trajectory data of a PHANTOM in IMD simulation
- How can I operate on multiple .pdb structures in a list
- how can I read volume data in spider-format
- How can I redefine fragments in VMD
- How can I swap specific atoms for all frames of xyz file?
- How can I trace an oxygen atom in VMD?
- How can i use the catdcd plugin with the VMD windows version?
- how can we improve it in VMD?
- How do I change details of a drawing style using the text interface?
- How do I define "collision only" atoms using MSMS?
- how do I keep graphics/representations in their designated frames? (they all show up in all frames)
- How do I make sure the normals value of trinorms?
- How do i merge files with mergemols
- How do I overlap that specific nucletide between a protein and RNA?
- How do I set the color scale for beta?
- How do I share trajectory visualizations with other systems?
- how do I show contacts with XXX angstroms between a protein and a ligand?
- how do I show spheres that are rotating around their centre
- How do I use the plugin to read the DLPOLY HISTORY file?
- How do you construct a .cgc file that actually works?
- how does contactFreq.tcl work?
- How does saltbr calculate distance?
- How does VMD predict alpha helices
- how draw color bar?
- How find water mediated hydrogen bond
- How i can changue the charge of my protein
- how is dcd trajectory format !
- how long do ILS runs take?
- HOW MAKE CROSS CO-RELATION MATRIX
- How select atoms from mol 0 within "x" of mol 1?
- how shall we fill in clipped molecules?
- How the suboptimal path length is computed in NetworkView plugin
- How the Within Command Works
- How to access the Lable tab's info of atoms?
- How to access the subset after 'fit' and 'move' ?
- How to activate E2SUN emitter
- How to add atoms to a molecule?
- How to add bond between atoms of same same or type in every molecule
- How to add heme to dowser plugin?
- How to add iond for RBCG model
- How to add ions for RBCG
- How to add ions to a system with non-water solvents
- How to add some small peptides to a water box randomly ?
- how to add spring between two atoms
- How to add two parallel confinement wall
- How to address two different geometries for same atom in PDB?
- How to adjust different atom size separately
- How to align a protein normal to lipid bilayer
- how to align simulated peptide in complex structure.
- How to align two peptide molecules
- how to analyse a trajectory without loading it
- how to analyze fitting structure into density map
- How to apply uniform surface charge ?
- how to bind peripheral membrane protein to the membrane
- how to block psfgen warning messages
- How to build a coiled alpha-helix
- How to build a crystal structure from a pdb file ?
- How to build a pseudo pore?
- how to build an atomistic protein from a low resolution data.
- how to caculate the hydrogen bonds occupancy?
- how to calculate binding free energy and contribution of individual residue?
- How to calculate density profile
- How to calculate end-to-end distance in VMD?
- How to calculate head group and acyl chain contact (separately) within 5 Anstrom of a particular protein residue?
- how to calculate hydrogen bond?
- How to calculate MSD on VMD
- How to calculate number of water molecules close to a nanostructure
- how to calculate PBC box volume in VMD?
- how to calculate rmsd?
- How to calculate tetrahedral order parameter ?
- How to calculate the C alpha RMSD from NAMD trajectory
- How to calculate the Hydrogen bond strengh
- How to calculate the Hydrogen bond strengh. .
- How to calculate the volume of a molecule using vmd?
- how to calculate water density in the 'hole'?
- How to calculate water density.
- how to call dssp in a script
- how to center protein?
- How to change atom type and make it take effect immediately ?
- how to change color of the one type of atom
- how to change material and color of an atom selection in TkConsole
- how to change paramters in making movie
- How to change resolution default setting?
- How to change stride of trajectory initially loaded in CaFE Plugin
- How to change the center of Radial coloring method
- how to change the color of all the C atoms in the newly created copy of representation
- How to change the colour of isosurface
- How to change the coordinates of the dummy atoms in readvarxyz
- How to change the font size in VMD?
- How to change the python include and linkage path in configure script
- How to change the VMD working Directory
- How to change title of display window?
- how to change working directory for viewmaster?
- how to change working directory of VMD?
- How to characterize and change the tacticity of polymer chain
- How to choose a ligand conformation to generate a CgenFF parameter
- How to choose CVs along DNA axis?
- How to choose part of the volume data for isosurface visualization?
- How to choose solid color in clipping plane render with POV-Ray
- How to cionize DNA? example needed!
- How to circumvent: FATAL ERROR: Periodic cell has become too small for original patch grid!
- How to close the box of situs electron density map?
- How to color atom by charge
- how to color one residue with two or three different colors?
- How to color the atoms based on the stress
- How to compile for Python 3
- How to compile the source of VMD1.8.7 on linux system
- How to compute excluded volume using volmap?
- How to compute the angles
- how to configure PROPKA3 in VMD 1.91?
- how to configure Tachyon image render size?
- How to configure the joystick in VMD of linux version?
- how to configure VMD plugin location?
- how to connect chains using psfgen
- How to constrain a atom
- How to continue the calculation of NAMD in case of power failure?
- How to contribute to VMD?
- how to control "offset" and "midpoint" of color scale simultaneously using tk-console
- how to control the superposition (measure fit) ?
- how to convert dcd AND ALIGN molecules then to pdbs in command line
- How to convert DCD file into Amber trajectory file in vmd
- how to convert dcd to pdbs in command line
- how to convert Desmond trajectories into PDB in text mode?
- how to convert X_PLOR to CHARMM?
- How to copy/paste a membrane patch to create a larger membrane?
- how to creat a file containing only one potassium ion
- How to create a color ramp in VMD?
- How to create an aggregation of molecules with VMD?
- How to create bonds in VMD?
- how to create dityrosine links
- how to create psf of cyclodextrin in vmd
- How to create strong bond between atoms in VMD
- How to create the psf of an aggregation of molecules with VMD?
- How to deal with this sugar residues though psfgen?
- How to define an atom selection for a dynamic space
- How to define charge group and pass it to topo writegmxtop
- How to delete a residue
- How to delete anwanted waters in a special area ?
- how to delete atoms from the command line?
- How to delete atoms in graphene sheet
- how to delete one peptide from dimer
- How to delete selected atoms from a molecule
- How to delete unwanted atoms from PSF
- How to determine a molecule's conformation in solution
- How to determine angle between two helices?
- How to determine distribution of the orientation of a molecule
- How to determine periodicity and phase shift for ffTK dihedral parameter optimization?
- How to diagnose SpaceNavigator not working with VMD?
- How to disable automatic view rotations?
- How to disable CUDA in VMD 1.9.1?
- How to disable CUDA in VMD-1.9?
- How to discard certain atoms
- How to display a periodic image using TCL commands?
- How to display a selection from the Tk console
- how to display bond btw backbone atom and sidechain atom
- How to display boundary crossing bonds?
- How to display Chain name in Labels
- how to display dcd file written with catdcd using an index file
- How to display frames title ?
- how to display PDB with MODEL card
- How to display real time when reading trr file?
- How to display text on helices ?
- how to display the full molecule when use "within" option?
- how to display the periodic box in VMD
- how to do acetylated lysine in VMD
- how to download & install QMTool plugin
- How to download high-quality images from MEMBPLUGIN -> "Membrane thickness map"
- How to draw a box in VMD and plot the coordinates of the system
- how to draw boxes with semi-transparent sides
- how to draw different set of points for different frames in a trajectory my script does not work
- how to draw the bonds in VMD?
- How to efficiently update a surface
- How to embed 3-D image into powerpoint
- how to enable multiple core rendering?
- How to enable Python on Windows XP
- how to enable the vmd cachemode in .vmdrc?
- how to enlarge the menu font?
- How to evaluate VMD performance properly?
- how to explore the frame number in clustering analysis by the clustering plugin
- how to export into postscript with MultiPlot in tcl mode?
- how to extract a frame in a binary coordinate restart file format for NAMD ?
- how to extract atom information?
- How to extract data from log file
- How to extract data from NAMD log file for viscosity calculation
- How to extract residue names and resid from serial numbers in vmd using tcl?
- how to find dihedral parameter
- How to find distance between n-terminal c-alpha and c-terminal c-alpha.
- how to find phi-psi angles of residue of our interest in NMR structure?
- How to find rmsd of energy minimized structure of protein
- how to find the sign of the dihedral angle (full message).
- how to find vander waal interactions in vmd?
- how to fix structural alignment pdbs
- How to fix the position of the lipid bilayer in the trajectories
- how to generate .pdb file of graphene in VMD(nanotube builder)
- How to generate a monolayer in VMD
- How to generate a PDB file of the protein containing one phosphoserine
- How to generate an index (.ind) file?
- How to generate average structure from trajectory using VMD
- how to generate different starting points to do the md simulations
- How to generate more segments?
- How to generate random velocities?
- How to get 3D figure of solvent accessible surface area from APBS output
- How to get a file of trajectories and velocities in VMD?
- How to get a membran.psf from membrane.pdb?
- How to get a transparent background with Tachyon
- How to get all bond angles and bond distances for all atoms in sheet
- How to get all the angle combinations?
- How to get box information from file.dcd.
- How to get improper dihedral list
- how to get interaction energy
- How to get number of electrons of an atom in VMD?
- how to get pqr format file with catdcd
- How to get rid of default patch for NTER and CTER
- How to get rubber-like surface with Tachyon renderer
- how to get temperature fluctuations
- How to get tensionless LIPID BILAYER automatically ?
- How to get the coordinate of periodic images
- How to get the coordinates of periodic image!
- How to get the whole H2O molecule in a domain?
- how to get VMD plugins for 1.9.3
- how to have an array of snapshots in an image file?
- how to have residues list and properties in vmd
- How to hide graphics molecules in a python script?
- How to hide water in mdcrd file?
- how to identify DNA-protein interaction interface
- How to identify the index number of some particular atoms
- How to image molecules back into a PBC box?
- How to import .lammpstrj files using LAMMPS plugin
- How to improve the running of VMD with data on remote servers
- How to incorporate new probe molecules in DruGui?
- How to increase bond length maximum ?
- How to increase the number of core
- How to install the inorganicbuilder on Windows vista
- How to install VMD on AIX5 OpenGL server
- How to ionize a Shape Based CG Model?
- How to keep particular water molecules within the cut off during the simulations
- how to keep the bond , angle , dihedral and improper type after solvating the lammps data
- How to label the chains in a multimer
- how to label the distances using tk console mode
- How to let vmd do secondary structure judgement for each frame and render it on play movie?
- how to load a molecule in pdb format and save in mol2 format in batch mode
- how to load a state from the command line
- how to load an external file to user field
- how to load Orient package in VMD
- How to load packages from tcllib into VMD
- how to look for overlaps?
- How to make a disulphide bond
- how to make a mivie by VMD
- How to make a movie in VMD using principle component analysis
- how to make a movie of 2 or more trajectories
- how to make a movie using Principal Component Analysis
- How to make a selection in atomselect using an element in a list?
- how to make a snapshot that...
- How to make bold font?
- how to make default background color to white
- how to make IED work?
- How to make movie with .crd files?
- how to make movies from HISTORY file
- How to make Porcupine plots in VMD
- how to make separate molecule whole?
- how to make smooth movies ?
- How to make solid surfaces work with non-orthorhombic cells
- how to make the picture size suitable for the image size in pov file ?
- How to make the script that shows simulation time on a movie work
- how to make the structures in the movie look better
- How to make the trajectory file show the right bonds information in VMD
- how to make unique chain pdb identifier of virus capsid 60 mer?
- how to make user input during runtime of a tcl program using TkConsole?
- How to make VMD to work with Phantom Haptic Device
- How to make VMD work with Phantom haptic device?
- how to make whole biological unit / virus capsid from pdb BIOMT records
- how to mark regions in Multiseq
- How to maximize the VMD display window
- How to measure cross angles between helices
- How to measure of radius of molecules?
- How to Measure Radius of gyration
- how to measure residues' chi angle in VMD?
- How to measure several angles?
- how to measure some constants
- how to measure the distance between centroids
- how to measure the distance of two atoms in 1000 conformations?
- how to measure the thickness of the water shell
- how to merge two pdb in a single file
- how to merge two PDB trajectories?
- How to output formed dynamic bonds in VMD
- HOW TO PARAMETRIZE A LIGAND
- How to parse very large trajectories?
- how to pick certain water molecular from a .mdcrd
- How to pick up the lost periodic information?
- how to place a membrane protein with OPM ?
- how to place polymers on carbon nanotube surface
- How to place the origin point at the position of an atom?
- How to plot LOAD vs DISPLACEMENT from SMD output result using VMD
- how to plot multiple namd log files using NAMD plot
- how to plot per-atom field variable
- How to plot the data created by VMD analysis script - difference_matrix?
- how to plot waters h-bonded to a protein?
- How to populate lib/ directory when compiling
- how to prevent molecule jump around
- How to prevent psfgen from adding atoms
- how to prevent view reset on data load
- How to produce a graph as the one attached, using VMD?
- how to put command line arguments in tcl script
- How to put metal ion into my protein
- how to put two identical proteins in a same water sphere?
- How to read every second frame with bigdcd
- How to read i8(64 bit) .crd file with 32 bit VMD
- How to read i8(64 bit) .dcd file with 32 bit VMD
- How to read i8(64 bit) trajectory (.dcd) file with 32 bit VMD
- how to read in a multi-segment psf/pdb pair into vmd
- How to read netcdf files on Windows version of VMD?
- How to read out .vel file from charmm
- How to read pdbqt file?
- How to read Scattered Volume Data
- How to read specific DCD frames directly in Fortran?
- How to read the output of ParseFEP
- How to reduce memory usage of a script?
- How to reduce the size of a .dcd file?
- How to remove "Lable"
- how to remove chain id ?
- How to remove hydrogens from a pdb file?
- How to remove particular residues and then view "ramachandran plot" in VMD
- How to remove rmsd spikes due to PB
- How to remove the simulation box
- how to rename a representation in vmd
- How to render an image like this one with VMD?
- how to render higher resolution figures for publication?
- how to represent H-bonds between chain A and chain B using VMD
- how to reset a timed out connection
- How to rotate a molecule
- how to run a plugin from the command line?
- how to run catdcd from within a proc
- how to run membrane.tcl from user-defined location ?
- how to run VMD on IBM machines
- How to run VMD text mode on Windows 7
- How to save 2 gro file in 1 gro file?
- how to save a list in a file
- How to save a snapshot from the trajectory in amber restrt formate
- how to save a structure after alignment?
- How to save Automatic psf builder script
- how to save coordinates after moving molecule in VMD?
- how to save coordinates from others molecule files
- How to save coordinates of periodic systems
- How to save image in SVG format?
- How to save particular md frames by VMD
- How to save the snapshot of my protein?
- How to save trajectory using Tcl commands?
- how to search for existing topology
- How to see the original Origin (0,0,0, coordinate) of a system
- How to select a hetatom while get rid of N-term ACE in atomselect
- how to select a particular molecule
- How to select a particular water molecule from a water box
- how to select atoms according to b-factor
- How to select some sugar atoms
- How to select the interacting atoms between two molecules in two different pdb files
- how to select the problematic residues(atoms)
- How to select water molecules within certain distance from a protein
- How to select water near a certain residue if it is outside of the water box?
- How to select whole residues when at least one atom is within a specific distance
- How to set a common camera state
- how to set atom index
- how to set color parameters differently for different molecules
- how to set molinfo from python
- how to set PBC for ILS
- how to set the coordinates of carbon nanotube?
- How to set the default mol style as VDW?
- How to set the default properties of drawing methods?
- How to set the representations in batch in VMD?
- How to set VMD_Plugin_path?
- How to shortening bonds length in a molecule ?
- How to show 3D images in the display window of VMD
- how to show biological unit coordiates from PDB using VMD?
- How to show dynamic bonds?
- How to show section contour of volumetric data
- How to show the strain energies of each atom
- How to smooth atom labels in a MD trajectory?
- how to solvate a molecule with cubic periodic boundary box?
- How to solvate a protein in a large water sphere
- How to Solvate protiens in any other solvent
- how to solvate the membrane in vmd??
- How to specify color based on dihedral angle?
- How to specify processors for running VMD on a cluster?
- How to specify the orientation of the molecule
- How to split large DCD file
- how to start vmd with "menu tkcon on"?
- How to stop a script (eg : source myscript.tcl) ?
- How to strip atoms from dcd in command line
- how to study the effect of mutation in vmd
- How to super impose NMR structures
- How to superimpose trajectories
- how to tackle atoms in a PDB with multiple occupancies
- How to take care of charges while attaching two monomers to form a polymer chain
- How to transfer Anton trajectory to AMBER trajectory.
- how to transform the coordinate of the atom using vmd
- How to translate my diffused protein back to COM?
- how to turn on antialiasing
- How to understand the occupancy?
- how to update the selection in NAMDEnergy
- How to use " segment " in tcl script.
- how to use 'lreplace' of 2D array?
- how to use APBS
- How to use bigdcd in vmd batch mode?
- How to use Inorganic Builder
- how to use measure cluster and clustering plugin of VMD?
- how to use measure hbonds to calculate occupancy of all hbonds in simulation?
- How to use QMtool to extract internal coordinates
- How to use remote GLSL rendering capabilities?
- How to use solvate add water in amber crd/parm files?
- how to use the AutoIMD "Tool control" panel.
- How to use the Grab (or Tug) Tool
- How to use vector calculation ???
- How to use VMD script "PorcupinePlot.tcl"
- how to view the dynamics in power point presentation
- how to visualize Charmm generated files
- HOW TO VISUALIZE HBOND AFTER SIMULATIONS THROUGH VMD
- How to visualize iron and chlorine properly.
- How to visualize only parts of a molecular surface
- How to visualize phi maps calculated with delphi V. 4
- How to visualize the moving periodic boundaries in VMD
- How to visualize unusual amino acid in VMD with Cartoon or ribbon representation
- how to visualize water movement over trajectory
- How to work on multiple pdbs by tcl script?
- how to wrap a protein with periodic waters
- how to wrap trajectory into truncated octahedral box
- How to write a netcdf file in vmd from already loaded netcdf/dcd trajectory
- How to write coordinates to a pdb without replacing existing entries
- how to write out the coordinates of center of mass of a particular residue
- how to write out the coordinates of center of mass of a particularresidue
- how to write out the dcd file by vmd python command?
- how to write pbc option in python?
- how to write topology for Metal in protein
- HOW TO: visualization of electron density maps
- How upgrade a molfile plugin?
- how vmd calculate dihedral angle
- how vmd return actual vector for given atom
- howto select stain reveal map
- HRTEM
- Hybond calulator and display
- Hydration
- Hydration dynamics:Phrase selection problem in vmd
- Hydration Shell RDF -- VMD Nomenclature Needed
- hydration shell volume
- Hydrogen and Water Molecules.
- Hydrogen bond angle
- Hydrogen Bond Calculation in VMD for DNA in VMD
- hydrogen bond calculations
- hydrogen bond criteria
- hydrogen bond cutoff value
- hydrogen bond energy
- Hydrogen bond energy calculation
- Hydrogen bond occupancy
- Hydrogen bond representation and cut off distance
- hydrogen bonding
- hydrogen bonding calculation
- Hydrogen Bonding energy
- hydrogen bonds
- Hydrogen bonds plugin for liquid water
- Hydrogen bonds plugin obscures charged atoms -- help!
- hydrogen bonds tcl script
- Hydrogen bonds with different evaluations
- Hydrogen mass repartition PSFGen2.0
- Hydrogens in vmd
- hydrophobic accessible surface area
- Hydrophobic interaction
- hydrophobic interaction between peptide vs membrane
- Hydrophobic mismatch script
- hydrophobic surface area calculation
- Hydrophobicity
- hydrophobicity on the Connolly surface
- Hydrophobicity plots in VMD
- Hydrophobicity Scale
- hyperchem files
- I am sorry
- I can not load mdcrd file after simulation with sander
- I can not see "Edit Entry" window.
- I can't not see my post in Archive list
- I have working PETE xbgf file, now how to combine into membrane?
- I need a bid trajectory please!!!
- i thought I could run a 100 ns NAMD simulation in my laptop for a protein-hormone system containing around 2000 atoms in its pdb file(4lnx.pdb). But even to run a simulation for four hundred fifty thousand steps, it has taken almost 4700 minutes. is this normal or its low? the device has 4 cores with 16 gigs of ram and 4 gigs of gpu(amd). Or any suggestions to run it faster???
- I want to change back ground color
- I would like to get a trajectory file in PDB. Can I use like data frame in VMD?
- I'm back..
- I'm sorry ... please ignore the junk !!
- I've tried latest vmd but still problems with mdcrd/crd/rst parser
- I: vmd on windows
- IC from paratool
- icon and desktop file for VMD
- icon in LABEL
- Ideal charge optimization strategy for atoms with existing ff parameters
- Identifying salt bridges between chains
- identifying the specific coordinates of a voxel
- Idle script error
- IDs of representations
- IED
- ied - again
- IED 2.02 and VMD 1.8.7
- IED analysis
- ied and gypython
- IED and output of labels
- IED individual eigenvectors/movie
- IED on MacOSX 10.3.9
- ied on vmd
- IED problem update: IED works only with vmd 1.8.2
- IED with VMD 1.8.3 on Debian
- ied with VMD 1.9.1
- IED, output from nmode (amber)
- IED-plugin
- ied.py : tk.h version (8.3) doesn't match libtk.a version (8.4)
- IED/Tkinter problems
- IED2.02 Problem
- If I want to modify measure.C, what should I do?
- IFD complex for solvation
- Ignore all the errors and load severely wrong structure in XYZ format
- ignore gpu on startup
- illegal mouse mode
- illegal stereo mode
- ILS on GPU Cluster - Exceeded MAX_BINOFFSETS for CUDA kernel
- ILS tool fails
- ILS: clash exclusion distance
- ILS: Problems with the alignment
- Image Flags
- image jumps
- Image render in VMD
- Image rendering using pov-ray
- images for publication
- IMD - remove forces on mouse release
- IMD and AutoIMD bug when releasing forces on residues?
- IMD in VMD
- IMD interface code and endianness
- IMD interface for VASP
- IMD per TCL
- IMD Plugin Errors
- IMD question
- IMD selections
- IMD with linux VMD client and IBM namd server
- IMD with Novint Falcon
- IMD with Phantom Omni
- IMD, basic questions...
- IMDEnergies from python
- Immediate PhD Opening Computational Structural Biology Of Membrane Proteins
- Immediate postdoc opening in Bio-molecular simulation, University of Alberta, Canada
- Immediate Postdoctoral Position Opening
- immersadesk
- implicit casting
- Implicit Ligand Sampling
- implicit ligand sampling method
- Implicit Ligand Sampling-molecule rotation issue
- Implicit Ligand Sampling: How to get energy along a reaction coordinate?
- implicit membrane in QwikMD?
- Implicit Patch for Nucleic Acids?
- implicit solvent
- Import gromos output file into VMD without format conversion?
- import QM single point calculation
- import selection in array for script
- import xyz file
- ImportError: cannot import name AtomSel
- Importing .str file generated by ParamChem to molefacture in VMD
- importing deMon2k "molden" files into VMD
- Importing Surface Mesh into VMD?
- importing topology file from PRODRG
- importing VMD python modules from external interpreterr
- imposing period boundary conditions in a simulation with a crystal
- Impressive Glashutte timepieces!
- Improper angle-ffTK, regarding
- Improper parameters for CNT
- Improper terms in topology files processed by psfgen
- impropers dropped when using psfgen
- Improve OFF plugin: handle colors
- Improved VMD performance on MacOSX 10.5.2
- Improving movie clarity
- Improving VMD performance on Linux?
- in search of lipid files
- In-Residence Training at the Theoretical & Computational Biophysics Group, July 16-27, 2012
- Include HETATM into *.psf file
- Including two parameters for protein-ligand simulation
- incompatibility between VMD & NAMD for reading Amber crd files
- Incompatible cubefiles (G09revD.01 cubegen)
- Incomplete Display
- Inconsistencies in NAMD simulations
- Inconsistent atom count
- Inconsistent frame output with TMD simulations
- incorrect bonds
- Incorrect charge in VMD from PSF?
- incorrect number of coordinates in .dcd file error
- Incorrect results from 'measure dipole -masscenter'
- incorrect tube, trace and ribbon drawings
- Incorrect visualization of system after catdcd
- increase light under depth cueing
- increase size membrane
- increase the resolution of images
- Increasing cores in QwiKMD
- Increasing MAXATOMBONDS?
- Increasing number of digits
- Increasing the number of bonds per atom
- Increasing use of RAM even if I put unset/delete for selections! Due to use of arrays?
- indented atomselect variables
- indentified particular water molecule
- independent stereo display
- index
- Index extractor Python Code
- IndexError in ied
- indexing water molecules
- Individual atoms trajectory
- Individual components of RMSD?
- Inexpensive Louis Vuitton bags
- info for computational chemistry awards, please forward
- Info regarding residue based CG simulation
- information regarding tcl script for cell volume changing with each frame
- init.tcl startup problem with vmd 1.8.3 (but 1.8.2 works)
- Initial configuration reorientation
- Initial configurations / topology for LAMMPS
- initial run by vmd on loading a trajectory
- INITIALIZATION ERROR --> OSPRay not yet initialized - WIN64, version 1.9.4a53
- inorganic builder
- Inorganic builder in no display mode - Reg
- Inorganic Builder Plugin
- input file
- input file for PO3
- Input File Format
- Input selection as xyz co-ordinates
- Inquiry concerning the plugin "Inorganic builder"
- Insall Problem VMD Linux 1.8.6 Part II!
- insert a protein into a membrane
- Inserting amino acids to a protein
- Inserting missing residues
- inserting protein into membrane
- Inspired Internet Business Opportunity!
- install 1.8.3 on RHEL4
- Install and Configure Problems
- install of new VMD 1.8
- Install of VMD on amazon linux2 NICE DCV server
- install on Centos - issues
- install plugin: problems with vmd_install_extension
- Install problem VMD Linux 1.8.6
- install the third part plugins
- Install VMD binary with CUDA, CUDA card detected but then error "no CUDA-capable device is available"
- Install VMD binary with CUDA, CUDA card detected but then error "no CUDA-capable device is available"--Solved
- Install VMD from source on Amazon EC2 instance
- install VMD IN parallel
- Install VMD on intel i5
- Install VMD on Mandrake Linux
- Install VMD on Window XP
- Install VMD with goal of enabling Intel OSPray renderer
- Install VMD with plugins to NAMD
- Install VMD with plugins to NAMD--solved
- Installation
- Installation and running on VMD on Debian Testing System
- installation error
- Installation Error Involving TLC
- Installation error with rlwrap
- installation errors with src/hesstrans_wrap.C
- Installation Issue
- installation of APBS plug-in in VMD 1.8.6
- installation of VIDEOMACH, how to point to the location of the files
- installation of vmd 1.8.3
- Installation of VMD on Mandriva Linux 2006
- Installation of VMD topotools
- Installation of VMD-1.8.4b11 binary + IED-2.02 on RH9
- installation on suse linux 10.3
- Installation on vmd-1.8 on mandrake10
- Installation Problem
- Installation problem -Solvate
- Installation problem on MacOS Monterey
- installation problem on solaris 9
- installation problem vmd 1.8.6 on fedora 3
- Installation problem with VMD, Multiseq, and BLAST
- Installation problem.
- installation problem: InstallShield
- Installation problems on openSUSE 10.3
- installation problems with Redhat 9
- Installation problems with VMD 1.9
- installation trouble
- Installation/Upgrade Error
- installed plugin won't show up next time
- installed vmd_LINUXIA64 but recieve error : /usr/local/vmd/vmd_LINUX: command not found
- Installer problem
- installing and running VMD on Windows 64-bit
- Installing CATDCD on a Mac
- installing IED on an sgi
- installing IED on vmd on windows
- installing MSMS on OS X 10.4.9 (Intel)
- Installing Multiseq updates
- installing netpbm
- installing problem python 2.2.2 for ied on amd64
- Installing VMD
- Installing VMD 1.8.5 pon ubuntu linux
- Installing VMD 1.8.5 pon ubuntu linux]
- Installing VMD 1.8.6
- Installing VMD 1.8.7 on i686/SL5
- Installing VMD 1.9.3 on Linux - Missing Console
- Installing VMD on a PC
- Installing VMD on Debian Linux
- Installing VMD on Fedora
- installing vmd on IBM AIX 5
- Installing VMD on MACOSX 10.10.4 Yosemite
- Installing VMD store using tkconsole in VMD in Windows 10
- Installing VMD to work with MSMS
- Installing VMD Windows version on 64-bit Windows Environment
- Installing VMD with PYTHON support
- Installing vmd-1.8.7 on LINUXAMD64
- Installing VMD-1.9.2 in Ubuntu 16.04-32bit
- Installing VMFD in kubuntu..............
- Intel HD Graphics and VMD
- Intel HD3000 versus ATI Mobility Radeon 6310
- intel_do_flush_locked failed: Cannot allocate memory
- Interacting H-bond between two dimer
- Interaction Energy
- Interaction Energy Using Python
- Interactive Display of Molecular Orbitals
- Interactive MD - 3DSystems Touch
- Interactive MD and Tcl
- Interactive MD driver/controller software no longer in beta
- Interactive Optix ray tracing on multiple GPUs?
- Interactive Simulations, ligand size limits....
- interatomic distances
- Interface Propensity
- intermediate states of a morph
- intermolecular salt bridge
- International opportunity
- Interpolation in internal space
- Interpreting a contact map
- Intersurf & MAC OSX 10.3
- Intersurf and interface residues
- intersurf in vmd
- Intersurf plugin
- intersurf plugin missing in VMD 1.8.7 ?
- invalid command name "dict"
- Invalid command name "His" during Solvation
- invalid command name "La::mevsvd_br"
- invalid command name 'vmdcon'
- Invalid repid?
- Inverted measure fit of ring atoms
- invisible files in windows
- Invitation to connect on LinkedIn
- ion 'channel axis'
- ion bead (residue based CG)
- ion visualization in VMD
- ionic radii of sodium and chloride
- Ionization
- ionize (big, big, big system!)
- ionize with VMD a TOP file
- Ions conversion from atomic model to coarse grained model
- iOS support?
- IR Spectra plugin
- IR spectral density calculation
- IR Spectral Density Calculator Plugin
- IR Spectral Density Tool
- IR Spectroscopy plugin questions
- IR Spectrum Units
- IRIX6 build from CVS
- is ! RI-MP2 6-31G* TightSCF opt autoaux rijcosx compatibile with ffTK CHARMM INQUIRY
- Is a PDB file hiding something ???
- Is catdcd running on Windows?
- Is it necessary to set up more than 1 hydrogen bonding for one Acceptor in Water Int. in ffTK
- Is it possible to automatically label all bonds?
- is it possible to enable GPU rendering?
- is it possible to hide ONLY non-polar hydrogens?
- Is it possible to load a part of a big xtc file faster...
- Is it possible to read a discover trajectory into VMD?
- Is it possible to save the position and angle of the camera for future VMD sessions?
- Is it possible to select a sub-trajectory specificities.
- is it possible to skip frame when using bigdcd
- Is it possible to use colvars module in VMD python mode?
- Is it possible to use VMD to plot RDFs where the cell volume/parameter changes at each time step?
- Is it possible to write CHARMM crd file from VMD?
- Is it the bug of VMD1.87_partool?
- Is nvidia 3D Vision + quadro working in linux
- Is occulus rift plug-and-play with VMD yet? If so, what are the capabilities?
- Is position dependent color possible?
- is possible to remove the waterbox before running VMD
- Is there a script to calculate root-mean-square thermal displacement
- Is there a way to add custormized representation method to VMD
- Is there a way to create atom selection for a list of atom indices?
- is there a way to measure the long axis of a protein or angle between domains in VMD
- Is there a way to validate a structure
- Is there a way to view .Hin files in VMD
- is there any plugin or software to combine PMF trajectory with VMD image?
- Is there any script to analyze radius gyration, center of mass of namd traj file dcd?
- Is there any way to diagonalize a 3x3 matrix in VMD,..........
- Is there any way to stop the display of bonds for bonded atoms on opposite sides of a periodic boundary without unwrapping?
- Is there currently support for loading large PDBx or PDBML files (e.g. 4YBB)?
- Is there someway to render protein picture without background color?
- Is VMD available to control the movie made by movie maker
- is VMD compatible with NVIDIA 3D stereo drivers ?
- is VMD portable?
- Is vmd working in float environment ?
- Iso-surfaces, VolumeSlices and tracing with VMD 1.8.2
- Isosurface and Fieldlines Not rendered in colour
- Isosurface and stepsize
- isosurface for non-orthorhombic cells
- isosurface from pdb with beta field
- isosurface question
- Isosurface Render - No Color?
- Isosurface rendering
- isosurface saving question
- isosurface stays gray after using "surface_color" command and "rebuild"
- Isosurface wireframe & solid surface representation
- Isosurface wraps in PME Electrostatics calc'n
- Isosurfaces and volume slices
- isosurfaces with non-orthorhombic unit cells using cube file
- isplay script that displays a system in the original pbc cell
- Issue assigning impropers with topotools
- issue drawing a PBC box centered on a selection
- Issue in Cal. Bonded and Scan Torsion in fftk
- Issue in wat_hbond.tcl script
- Issue install VMD 1.9.3 Spack
- Issue rendering cylinders in povray
- Issue running vmd and tk commands on my computer through script
- Issue sending forces to atoms with IMD and LAMMPS
- Issue viewing GRO file in VMD
- Issue with "measure rmsf" command
- Issue with NAMD/VMD tutorial
- Issue with NVIDIA GPU Cloud VMD Container
- Issue with patching when running mutator in vmd
- issue with ppmtompeg movie making
- issue with protein- ligand psfgen
- Issue with STAMP Alignment
- Issue with Timeline Plugin related to "geometry manager pack"
- Issue with visualizing model
- Issue with wildcat 3 cards
- issue with wrapping water molecules
- issue(s) with ffTK of vmd-1.9.2a35
- Issues generating a .psf file
- issues rendering images
- Issues using AutoPSF
- Issues using VMD 1.91. with CUDA on Mac OSX 10.9.1
- Issues with fftk - Opt-charges (in VMD 1.9.4a57)
- Issues with flickering display using VMD 1.8.7 displaying over X11 to remote Mac
- Issues with multiseq
- Issues with Paratools and Gaussian
- Issues with tachyon internal renderer
- Issues with Tcl script for MD Prep
- Issues with urea and autopsf
- isto variable in gofr
- iTrajComp plugin.
- Jarzynski analysis
- JMV
- JMV Molecular Viewer Support within BioCoRE
- Joel Subach shared "Charge Value from -2 to 0 I" with you
- Join tens of thousands of LUCKY winners today........
- Joining DCD files with overlapping frames
- Joining DCD files with overlapping frames.
- Joining fragments
- Joining nonlinear chain fragments from LAMMPS data file
- Joystick on Linux
- Joystick, VMD and vrpn on Linux
- joystick, win32 simple interface
- Joysticks for VMD on Windows XP
- just a test
- K-linked Ub, ACE patch, and autoPSF
- K-means clustering algorithm for multiple frames in C
- k3b also launches vmd
- Keeping Dotted Structure when Rendering using PovRay
- Keeping molecules intact when unwrapping
- keeping original coordinates in trajectory
- keeping two ligands in a box
- Keyboard mapping incorrect for OS X
- keyboard-mouse-controlled view for VMDMovie plugin
- keyframe animations
- keywords to access surface?
- kill source'd tcl script
- Knowing the euler angles from a particular orientation
- Knowing the euler angles from a particular orientation.
- known issues with measure hbonds
- KS UIUC isn't accessible in new Firefox
- Kshatresh Dutta, let's connect on LinkedIn
- L-DOPA and non-natural amino acids incorporation
- L-DOPA incorporation
- L/R lighting discrepancy
- Label all atoms using script
- label all residues
- Label on Movie
- label options
- label placement with smoothed trajectory
- Label using TCL
- labeling a residue
- Labeling atoms by index
- labeling bonds between two atoms
- labeling for movie title
- labeling index of atoms of a particular type
- Labelling Coordinates (not Atoms)
- labels
- Labels 'springs' in labels form
- Labels (atom type, partial charge)
- Labels for part of a trajectory
- Labels not appearing with "load state"
- Labels on top of atoms
- labels with sub/superscripts or even symbols
- lags on VDW
- lammps and vmd
- lammps charge data, adding bond
- lammps data file simulation box center and VMD origin
- Lammps data visualization with VMD
- Lammps Output data format
- LAMMPS output with VMD
- LAMMPS reader
- Lammps simulation
- LAMMPS Trajectory
- LAMMPS Trajectory Bond Specification
- LAMMPS trajectory file
- LAMMPS tutorial and Materials Simulation Symposium @ Temple, August 15-19, 2016
- LAMMPS visualization
- LAMMPS Vizualization
- lammpstrj file as pdb
- lammpstrj move out zoom
- LANG setting needs to be solved in next release....
- Language definitions - \usepackage{listings}
- Large angle force constants with FFTK
- Large dcd file
- large DCD file "appears to contain no timesteps"
- large mdcrd files
- Large Molecule in CAVE Enviroment
- Large number of harmonic distance restraints
- Large positive non-integer charge
- large selection
- Largest published IMD (interactive simulation) examples?
- last call for early registrations for "Horizons2005"
- LAST CALL: Free Energy Workshop, Münster, March 9-11, 2015
- Later protein diffusion through membrane--PBC tools problem
- latest beta nVidia driver for Windows looks good so far...
- Latest Linux News?
- Latest list of VMD citations
- latest vmd
- launching fftk
- Launching Tk Console
- Launching VMD Gui from WSL Centos compiled from source
- Leap Motion
- Left Right eye stereo flip in Crystal Eyes
- Lennard-Jones parameters
- Lennard-Jones parameters of rubidium
- LES problem
- lib/stride/README
- libcprts.so.6 not found by VMD on RedHat EL3 (ia64).
- libGLU.so missing?
- Library to display molecule into Qt widget
- libX11.so.6 error
- License question
- Licorice in transparent surface visualisation
- ligand names
- ligand parametrization
- ligand-protein bonds representation
- limit on segment atom number in solvate and autoionize
- Limit to total number of atoms in PSF?
- Limits of the VMD Visualisation
- lindex related question
- line
- Link atoms
- Link between the electrostatic potential on the surface and the grid.dx generated by APBS
- LINK or PACTH command in VMD
- Link Patch?
- Linkage problem when compiling fortran bindings for VMD molfile plugins
- Linking 4 proteins
- Linking Error on Mac OS X
- Linking to molfile_plugin libraries
- Linking with FLTK 1.1.0b12
- Linux compile error
- linux graphics adapters?
- linux graphics adapters?)
- Linux HiDPI screens
- linux installation
- Linux installation issue
- linux issues
- linux mesa binaries no longer available?
- Linux/Intel configuration for processing large trajectory file
- Lipid area
- Lipid Bilayer Shearing
- lipid bilayer thickness
- lipid definition
- lipid headgroup analysis
- Lipid Membrane
- Lipid order paramaeter script
- lipid order parameter
- Lipid Order Parameter]
- Lipid order parameters
- Lipid Packing Defect in vmd
- lipid Scd order parameter for a large bilayer (1440 lipids) with a changing bilayer normal (ie. bilayer undulations)
- lipid tail selection
- Lipids generated by VMD could not use "coordpdb" to read
- list in TCL
- list of all the file type keywords for "mol load"?
- list of residue contacts
- list structure in measure cluster output
- Listing solvent accessible surface area per residue
- Little problem with VolumeSlice
- Load
- Load a molecule in a function without output and slow Tcl gui console
- Load and change representation?
- load in multiple files once
- Load last frame of dcd on TKconsole (how?)
- load molecule made by amber7.
- load MSMS face file into VMD
- load MSMS files into vmd
- load multiple CRD trajectories into a PDB file
- Load multiple files
- load multiple pdb files simultaneously
- load of information on B factor as independent file
- load propka3.1 results error
- load speed of dcds
- load state and alignments
- Load struture form memory
- Load trajectory file in .sim format
- load two or more molecuoles at one time
- load-traj for three dimensions
- loading .gz trajectory files
- Loading .vel file in VMD
- Loading .vel files into vmd
- loading .xtc file
- loading a new molecule without changing the view
- Loading a PDB file with different atom counts in models
- Loading a pdb traj in VMD 1.8.4 beta 6
- Loading a script
- loading a several structures in the same time
- loading a trajectory using bigdcd and job launched on a PBS server
- loading a trajectory where particles aren't conservd
- Loading AMBER coordinates in VMD text mode
- loading amber file
- loading amber topology
- Loading Chemical Component Dictionary File Crashes VMD
- loading compressed trajectory files
- loading crd files into VMD
- Loading DCD files
- Loading DCD Frames in Python
- loading electron density maps with a script
- Loading files
- Loading files all at once time to create movie
- Loading files into already-running version of VMD from command prompt
- Loading Gaussian Log File into Paratool
- loading gzipped trajectories into vmd
- Loading large trajectories using multiple threads/direct calls?
- loading limits
- loading MD trajectories
- loading molecule from command line
- loading molecules with increasing number of backbone atoms in VMD
- Loading molfileplugins without modifying vmd install
- loading movies of ply files
- Loading multiple dcd files crashes VMD
- loading multiple different topologies into the same "molecule"
- Loading multiple molecules in one step / "Apply changes automatically"
- Loading multiple PDB files in VMD 1.8
- loading multiple pdbs as frames and the filenames
- loading multiple trajectories with stride command in the terminal
- Loading new molecule without changing view?
- Loading new molecules into VMD from an application
- loading pdb files from multiple directories
- loading PDB+PSF
- loading PDBs with multiple states having different numbers of atoms in VMD
- Loading Problem
- loading python
- loading saved state from command line
- Loading structures into sequence alignment extension?
- loading trajectory
- loading trajectory file
- Loading trajectory frames - bug ? Tcl-equivalent ?
- Loading trajectory into Multiseq
- loading trj file
- loading two dcd files in VMD
- Loading up PDB files in absolute coordinates
- loading X-PLOR grids created with ptraj
- Loading XYZ trajectory file
- Local isosurface
- local packing density around a chemical group (say, a methyl group or a side chain)
- local urea concentration
- Localhost port 3000 error
- Locating channel using hole
- locating or creating a .vmdsensors file for windows VMD
- Location of 'mol bondsrecalc' in source code
- location of light sources in vmd
- Location of measure command script
- Locked files in Windows 7
- Loevyou
- log colorscale
- logging in vmd
- Long atom types from CGenFF causing charge problems
- long bonds
- long bonds in surface structure is not shown in vmd !?
- Long file paths in Mac OS 10.5.3
- Looking for assistance on vmd
- looking for help to solve FATAL ERRORQ=BC=9A_Didn=27t_find_vdw_parameter_for_atom_type_C11?=
- looking for help to solve FATAL ERROR: Didn't find vdw parameter for atom type C11
- Looking for nice example images for VMD 1.9.1 release page...
- looking for VMD draw scripts.
- Looking for x86 Mac testers...
- Loop for
- loop in loop
- loop in loop - found it
- Loop through atoms in a molecule
- loosing color when rendering molecular surface in VMD
- Losing atoms while solvating
- Loss of VDW upon rendering with POV3
- Lovyeou
- lowest energy structure
- Luxurious costume repl1ca w4tches at lowest prices
- M1 Mac menu issues
- Ma Ming wants to stay in touch on LinkedIn
- Mac and cmd line
- Mac issue
- mac OS Bigsur version 11.6 intel netcdf extension
- Mac OS compilation? what could be going wrong?
- Mac OS compilation what could be going wrongQ?=
- Mac OS X -dispdev options
- Mac OS X 64 bit Issues
- Mac OS X problems with 1.8.3
- Mac OSX crash with bus error/segmentation fault upon loading pdb/dcd
- Mac OSX TK console issues
- Mac OSX version
- Mac Stereo 3D Displays & Equipment
- Mac Titanium video card
- mac tk widgets
- Macbook and VMD Tk windows
- MacBookPro and VMD version
- MacOS 10.4 problems
- macOS Catalina
- MacOS native version resource attach info...
- MacOS VMD1.9.4.a55 crashes- malloc: can't allocate region
- MacOS X VMD 1.8 alpha 16 "bundle" test version...
- MacOS X window resizing fix...
- MacOS X Yosemite 10.2.2 workaround for people to try...
- macosx 10.6 compilation issue
- MacOSX and the solvate package
- MacOSX bundle
- MacOSX VMD errors.
- MacOSX VMD errors. (solved)
- Macromolecule?
- macros and variables
- Maestro file export
- maiil about installation of vmd1.9.3 from source code
- mail about installation of vmd 1.9 in cluster
- mail about renumbering of residues
- Mail about TCL script
- mail about visualization state
- mail about VMD installation
- Mail reg compilation of vmd 1.9.3 plugin
- Mail System Error - Returned Mail
- Mailing List
- Mailing list for Postdoctoral opportunities in Simulations
- Mailing list problems
- maillist
- Main menu not compiled?
- main menu rests to top molecule after each double click in a list of molecules
- Main window (button bars) does not start
- main window missing?
- Main window off top of screen
- Maintaining original coordinates from PDB ?
- Make "Load all at once" the default? Adding representations?
- make movie w/ VMD in SUSE environment
- make movies with user-defined script
- Make sure girls notice your package
- makefile not generated from configure
- makemovie errors (povray) -- VMD 1.8.3 on MacOS 10.3.8
- making .psf file based on .gro or .pdb
- making a movie
- making a movie in a tcl script using graphics commands
- making a movie of a atomselection of a very large trajectory
- making a movie of an unusual trajectory
- making a movie of multiple molecules
- making a movie of trajectory file animation
- making a movie with a serie of pdb's
- Making a selection from another selection
- Making a Skewed graphene sheet via VMD
- Making a trajectory movie from frames.
- Making a water-only sphere
- Making an extensive search of PDB
- making animations
- making bonds myself
- making cluster for simulations
- Making good trayectory movies
- Making high quality pictures: How to increase the number of samples?
- Making interactive 3-D PDF files using VMD 1.8.6 beta 7
- making movie
- making movie file
- making movie from GROMACS trajectory
- making movie on Mac OSX
- making movie SGI
- making movie with move on each frame...
- making movie with snapshot - bogus images
- Making movies
- making movies in vmd
- Making movies in VMD (UNCLASSIFIED)
- Making movies of trajectories
- Making only a subset of atoms transparent (or otherwise non-emphasized)
- making patch
- making ps files
- making psf files
- making self-adjustable high resolution images
- making the Orient plugin available in VMD
- making time lapse video
- Making trajectory movie last longer.
- Making UIobjects
- Making VMD movies
- MANDRAKE and VMD
- manipulate DLPOLY HISTORY files
- Manipulating dcd using script in VMD
- Manipulating the pdb file
- Manipulating volumes in VMD
- manipulation of atomselections
- Manipulation on loaded MSMS surface
- manually change secondary structure
- manually creating frames for VMD
- manually defining bonds, setting atom colors
- manually generate PSF for small molecules
- Manunlly Assign Secondary Structure (May Not Be Realistic)
- map files
- mapping delphi potential maps on surfaces
- Mapping electronic potential to surface
- Mapping Gaussian electrostatic potential to electron density with cube files
- mapping values on protein structure
- Maria Tziastoudi
- Martini RBCG
- mass weighted rms fit
- Massive Inventory Clearance Sale on DTI 2D/3D 18.1" Flat Panel Displays!
- masure distance trajectory - delete variable
- Matal binding protein prediction 3d
- Matching electron density map and PDB
- matching part of two models
- Matrix based intermediate rotations
- Matrix in VMD
- Matrix inverse
- matrix transforms of volume objects
- Matrix: Warning: no convergence (0.00000000<390.26229858 after 1000 iterations).
- Max Characters in Writing Files
- max mice for IMD
- Maximum length of an extended peptide?
- Maximum number of atoms/bonds
- maximum number of molecules
- Maximum numbers of atoms
- Maximum Stride Possible for Publishable Results
- maximum trajectory size?
- Maximum velocities
- May 18th, Late abstract submission deadline for 3Dsig Structural Bioinformatics & Computational Biophysics
- May I use my own radii?
- MD movie making of fluent movements
- md simulation of a protein and a ligand
- MD Simulations with GROMACS/NAMD/AMBER/VMD: Seasonal School in Stockholm 10-13 June
- md trajectory: centering/h-bonb residence/coordination number
- MD very slow on a 8400M GS laptop (but not on a GT230M one) after NVidia driver update to 304.64 or 310.14
- MD Videos and fixing the view into a certain perspective
- MD: Water network analysis + visualization
- MDAnalysis/VMD discrepancy
- mdf molfile plugin reader atom_type bug
- MDFF and implicit solvent
- MDFF Check -ccc in different VMD versions
- MDFF Check CCC problem
- MDFF chirality restrain error - measure imprp: empty atom index
- MDFF difficulties with mdff sim command
- MDFF for multiple subunits
- MDFF multiple PDB and PSF
- MDFF plug-in
- MDFF plugin calculating ccc
- MDFF problem
- MDFF Query: how to convert XPLOR style density maps to DX or SITUS format
- MDFF rotation
- MDFF sim Problem
- MDFF simulations
- MDFF through VMD Error FATAL ERROR: DIDN'T FIND vdW PARAMETER FOR ATOM TYPE OT
- MDFF time line ccc score
- MDFF tutorial is not working
- MDFF using Martini
- MDFF with rRNA modifications
- MDFF with two symmetry groups
- mdff: tutorial
- Meadionize
- Mean atom position
- Mean value of el. potential ?
- Meaning of computer graphic terms
- Measre dihedral angle of a certain type
- measure angle between three points in space
- Measure atom position directly from index
- Measure atoms volume on VMD
- measure avpos
- measure binding site SASA
- measure bond length?
- Measure Center Question
- measure command in vmd
- measure command problem
- measure contact between com
- measure contacts not working as expected
- measure contacts script
- measure dihedral and improper angles
- measure dihedral angle for all the loaded pdb files
- measure dipole
- measure distance
- measure distance atom from plane
- Measure Distance Script Question
- measure energy
- measure energy elect vs. NAMDenergy
- measure fit - wrong alignment
- measure fit alignment problems
- measure fit error??
- measure fit rotation matrix convention
- measure fit sufficient for alignment prior to RMSD?
- measure forces applied in VMD
- measure forces applied on VMD
- measure gofr - how is g(r) normalised?
- measure gofr for finding hydration shells
- measure gofr non-orthogonal
- measure gofr script
- Measure gofr with large DCD files (Possibly use bigdcd ???)
- measure Hbond
- measure Hbond and orient (with vec {0 0 1}) of a selected molecule
- measure hbonds
- measure hbonds between protein and water - problem with periodic boundary conditions
- Measure hbonds equivalent in Python interface?
- measure hbonds in VMD tcl script
- measure hbonds problem
- measure hbonds question
- Measure helicity at each frame
- measure imprp - input order of atoms
- measure inertia (Eigenvalues and Eigenvectors)
- Measure Radius of gyration
- measure rmsd with non-serial atom ordering between two selections
- measure rmsf
- measure rmsf - command (step argument)
- measure rmsf - relative to what?
- measure sasa
- measure sasa algorithm?
- measure sasa and memory issue
- measure sasa gives different results on different platforms
- measure sasa not consistent
- measure sasa of a complex (CNT and protein)
- measure surface usage
- measure the distance between center of molecules
- measure XYZ dimensions of a system
- measuring all the bonds and angles in /Tcl
- measuring angle between two domains of protein
- Measuring angle between two domains?
- measuring angles between principal axes through multiple frames
- Measuring cluster size
- Measuring distance during a trajectory
- Measuring distances between two sets of atoms in a dcd file
- measuring distances in vmd tkon
- Measuring fit exclusively in 1 plane
- measuring h-bond distances
- measuring h-bonds
- Measuring hbonds between selections from different molecules
- measuring rotation of protein about an axis
- Measuring specific distances over a trajectory
- Measuring the order parameter
- measuring the orientation of a small a-helix
- measuring torsion angles
- Membrane and box with PBC
- membrane builder
- Membrane builder ?'s
- membrane generation question
- membrane in xplor format
- membrane lipid involvement of cholesterol
- membrane loading
- membrane modeling
- membrane plugin (IRIX version)
- Membrane plugin error?
- Membrane PlugIn issue
- membrane plugin | lipid structures
- Membrane POPC
- membrane protein embedding
- Membrane Protein Tutorial
- Membrane Protein Tutorial Bug
- Membrane Proteins Tutorial
- Membrane tutorial regarding
- membrane_problem
- memorry problem
- memory allocation issue
- Memory allocation problem
- memory issues
- memory leak 1.8.7 and 1.9b1
- memory leak found
- Memory leak using "moveby" command inside a loop
- Memory leak with "mol modselect" and index
- Memory Pool Size - can I optimize this?
- memory problem p4_Globmemsize
- Memory Problem with tcl/tk script...
- Memory Problem with tcl/tk script...(2)
- Memory Problem with tcl/tk script...(3)
- Memory Problem with tcl/tk script...(Solved!)
- memory problems
- Memory problems using the "move" command inside a loop!
- Memory problems with Multiseq
- Memory problems with TCL scripts in VMD.
- Memory problems with XP
- memory sharing in VMD
- Memory used by VMD is much less than installed
- Menu is missing?
- menus unresponsive in ubuntu 10.10
- merge
- Merge frames of PDB asymmetric unit to biological assembly
- merge pbd psf files (update)
- merge pdb
- Merge PDB files to create a single PDB and PSF file
- Merge Protein/Small Molecule psf/pdb
- Merge psf and pdb
- Merge Structur
- merge structure : It is working
- Merge Structure changes coordinates to 0
- merge structure of two pdb files
- Merge Structures Bug
- Merge structures coordinate failure
- mergemols not combining topology information
- MergeStructs Plugin in text mode
- merging atomselection
- merging independent dcd files,
- Merging multiple PDB files
- merging multiple structures
- merging several pdbs in one file
- merging two pdb files
- merging two pdbs???
- Merging two proteins
- Merging two structures with duplicate segment names using TCL/Tk Console
- Mesa libs + Mac OS X + HW stereo + vmd
- Mesa rendering
- Message from Chaitanya Krishna
- message in the console
- metadynamics potential vs pmf
- Metal-Metal distance
- Metal_Envornment Script
- metalloprotein simulation
- methanol_solvent box
- method for user-defined coloring
- Method to measure DNA perterbation
- Micelle formation visualisation
- Micelles...
- Migrating a tcl plugin to C
- Min. Image Convention after Translation & Rotation
- minimal distance between atoms in all frame
- Minimal VMD
- minimization changed the occupancy of all atoms to zero
- minimization command
- Minimization--Number of Timesteps
- minimize during FEP & OS-FEP
- minimizing each structure of a DCD file
- minimizing text console on startup (Windows)
- Minimum content/format of PSF file to specify bonds?
- minimum distance b/w two atoms
- Minimum distance between atoms within representation
- minimum value of index numbers
- Minmax command
- Minor bug report in VMD 1.9.1
- Minor bug/annoyance: AutoPSF and acetylated CHARMM glycans
- Minor bug: clash between Multiseq representations and AutoIMD
- Minor error in VMD PSF parser for atom charges
- Mirror reflection
- Misfunction of some plugins if compiled
- misleading documentation for -res switch in MDFF plugin
- Misleading failure of VMD with charge/CGenFF from waterbox
- mismatch between phi and pdb files
- Missing angles and dihedrals
- Missing atom error while atoms exist in pdb
- missing atoms
- missing basic tutorials for VMD scripting?
- Missing Bond at Periodic Boundary
- missing bond problem
- Missing bonds
- missing cell length on DCD
- missing fragments in molefacture
- missing frames in trajectory file
- Missing main menu
- Missing operand error in vmd pathways plugin
- missing operator at _@_in expression "$i _@_$n"
- missing RMSD tool in extensions menu
- Missing substituents in the converted pdb format
- missing terminal residues while generating side chain atoms by psfgen
- Missing vmdplugin.h in VMD source code
- missing" Number of frames to render" in VMD window movie generator
- Mistakes in the 1.8.7 User guide
- Misunderstanding about SASA
- mkdir command in vmd
- MM-PBSA calculation
- MM/PBSA in VMD
- MMPBSA Question
- MMTools
- mmView - a tool for mmCIF exploration
- Model building questions
- model export
- model protein chain not displayed properly
- model with TIP4 water minimization getting crashed every time
- modeling rGO without ReaxFF
- modelling phosphorylation
- Modelling program that does hydrogen adjust
- Modification of terminal N-amino and C-carboxyl of peptide
- Modified DNA bases PDB files
- modify and save updated PSF and CRD files
- Modify bond label.
- modify the plugin in MACOS X
- Modify XYZ reader plugin
- Modifying amino acid to a non-standard amino acid using VMD (proline to hydroxyproline)
- modifying mk3drame.tcl
- Modifying vmd permeation.tcl script
- Modulus atom selection
- MOE and NAMD
- MOE discussion
- mol add url
- mol addfile
- mol clipplane
- mol clipplane very slow
- mol files
- mol load and mol addfile
- mol new [from memory]
- mol new [from memory] SOLVED
- mol options first and last
- mol pdbload failing
- mol representation Isosurface - Parameters?
- Mol representation using coordinates
- mol urlload -- this doesn't seem to work in Windows (it does seem to work from Linux)
- mol volume
- mol2 file format & displaying atom connectivities
- Mol2 with Charmm atom types?
- Molden format plugin
- Molden orbitals: how to increase the bounding box size?
- molden xyz movie
- Molecular Design Interface Software Development Position
- molecular dipole moment
- Molecular Display component
- Molecular dynamics order parameters
- molecular dynamics problems
- Molecular orbitals from molden files
- molecular orientation
- molecular representation: new lead generation software
- Molecular ruler ?
- Molecular Simulation using PHANToM Haptic
- Molecular Surface Restricted
- molecular surface/multiple trajectory files/the speed in animation
- Molecular viewer for android or iPhone
- Molecule builder for large number of molecules
- MOLECULE DESTROYED BY FATAL ERROR
- Molecule is shown with too many bonds
- molecule jumps from one site to the other?
- Molecule limit
- Molecule not visible in VMD 1.9.2 MAC OS X El Capitan
- Molecule occupies the lower-bottom corner of the main window
- molecule orientation in saved state
- Molecule rotation
- molecule selection along an axis
- molecule.write()
- molecules drifted away from the focus....
- molefacture "force tetrahedral" failure
- Molefacture "namehead" error
- Molefacture & Six-Character Atom Types
- Molefacture - VMD agreement
- Molefacture 2 does not generate angles & dihedrals
- Molefacture 2.0 - missing functionality?
- Molefacture and writegmxtop stops with no error
- molefacture builds leucine with a nearly linear CA-CB-CG angle
- Molefacture does not write bond angles and dihedral angles info in the psf file
- molefacture doesn't recognize lower-case letters
- Molefacture error
- molefacture isn't writing PDB coords
- molefacture selection
- MOLEFACTURE with more than 200 atoms
- molfile plugin and the NetCDF file format
- molfile plugin compilation for webassembly
- molfile reader plugin woes
- molfile_plugins makefile errors
- molfracture force field
- MolID error using fftk with VMD 1.94a49 on windows 10
- MolID error using fftk with VMD 1.94a49 on windows 10 - [Solved]
- molinfo top get filename, dialogue vs. "mol new"
- Molscript
- Molscripts
- Molspace volume calculation failed
- Moment of inertia script
- monitor helicity change
- monitoring h bonds
- monitoring of aromatic interactions?
- mono2poly question
- monomer to tatramer conversion
- monomer transposes boundary box
- Monte Carlo conformational search
- MOPAC Orbitals
- Mopac VMD
- more animating trajectories
- more animation
- More Linux woes
- more on lammps and VMD coordinates
- more precision in inverse trig functions
- More Script Problems
- More than 99999 atoms?
- morph
- Morse potentail with charmm 27
- Most relevant VMD install
- motion correlation map
- Mouse behavior in VMD
- Mouse event listener
- Mouse-Add/Remove Bonds
- mouse-move-rep in VMD 1.8
- mousing problem under OS X
- Move center of volmap.dx
- Move labels
- move ligand around the protin
- move matrix definition
- Move molecule
- Move molecule to the origin of coordinate system
- move molecule using tcl
- move volume file
- Move volumetric data with their associated PDB
- moveby command
- moveby command in vmd
- movie
- movie for Openoffice
- Movie for Trajectory analysis
- Movie frame rendering
- movie from amber traj
- movie generation without runtime frame show
- movie maker
- movie maker extension
- Movie Maker in VMD
- movie maker plugin doesn't load
- Movie Maker plugin parallel MPI rendering
- Movie maker problem in VMD
- Movie Maker skipping
- Movie Maker: How to specify use of trajectory in the movie script file
- movie making
- movie making in batch mode
- movie making in vmd
- Movie Making Troubles
- Movie making with smoothed trajectories
- Movie of a xyz trajectory
- movie out of principal component analysis
- Movie Plugin
- movie quality degradation
- movie rendering
- movie rendering on MacOS 10.6
- Movie Script
- movie showing loop movement
- Movie Smoothing error
- movie under Windows
- Movies in VMD
- movies on a mac
- movies on mac os x (panther)
- Movies using Cygwin's ImageMagick?
- Moving a molecule, regarding
- moving an atom in VMD
- moving atoms and updating distances
- Moving atoms so that origin is at fixed position with respect to the display
- moving by angle and measuring angle
- Moving center of protein to another center x,y,z
- moving center of protien to another new center x,y,z
- Moving domains in VMD
- Moving Graphics Primitives to Front/Back
- Moving making with short trajectories
- Moving Molecule
- moving molecules and getting the new positions
- Moving molecules with Spaceball or with a Tool
- moving objects
- moving rotational center to display center
- Moving volume data with molecule
- mpeg doesn't run on media player
- mpeg movie from trajectory
- mpeg1 movie output makes 0Kb file - any one know why?
- mpg image speed
- MSD
- MSD calculation
- MSD calculation - Memory saving.
- MSD calculation from VMD RMSD plugin.
- MSD for water inside CNT
- MSD of membrane lipids
- MSMS
- msms & vmd
- msms 2.5 and vmd?
- MSMS 2.5.3 is available for VMD users!!
- msms and socketPort
- msms and vmd on amd athlon64.
- MSMS and VMD: vertices discripancy
- MSMS calculations
- MSMS help
- MSMS in VMD
- MSMS installation
- MSMS of selection's contribution to total surface
- MSMS on linux and Draw Multiple Frames in VMD 1.8.3
- MSMS on Windows
- MSMS plugin for windows
- MSMS probe radius and CHARMM VDW radii
- MSMS problem
- msms question...
- MSMS under Windows
- MSMS variable
- MSMS variable (and VMDMSMSUSEFILE)
- MSVC Projects Corrupt and Missing
- much larger diameter of ssDNA,
- Muhammad Radifar
- Multi-core CPU does not work with VMD.
- Multimodel PDB files with different models (again)?
- Multimodel PDB files with Different Models?
- multiple alignment tool
- multiple attempts before vmd starts up
- multiple automated calls to NAMD
- multiple cells representation
- multiple colors for a single atom
- Multiple data files on command line does not seem to work
- multiple dx frames
- multiple entry mol2 file
- multiple id's
- Multiple incompatible definitions warning
- multiple parameterized ligands
- multiple peptides simulation
- Multiple Programmer Positions to develop VMD and NAMD
- multiple proteins
- Multiple proteins in MDFF?
- Multiple residues at same position
- multiple residues with same resid and problem with solvation using VMD
- Multiple Sequence Alignment Extension
- Multiple Stream Files: What Order?
- multiple structure PDB files
- multiple topology files and resetpsf
- multiple vector in smd
- multiplot : integration of undrawing command (?)
- multiplot: control reaction for click on datapoints?
- multiplying maps in non-orthogonal coordinates
- multiseq
- Multiseq / stamp alignment on Windows 1.9.4alpha
- multiseq and fasta files from pdb
- MultiSeq conflicting with DYLD_LYBRARY_PATH
- MultiSeq Database Downloading Error
- Multiseq display settings
- multiseq doesn't respond to ctrl key correctly
- multiseq doesn't work
- Multiseq doesn't work on mac
- MultiSeq error
- Multiseq error: 'can't read 'SequenceIDtoMolID(122)': no such element in array'
- Multiseq in text mode
- MultiSeq on the windows vista OS
- MultiSeq QR structure factorization on the command line
- Multiseq question
- Multiseq refusing to load a structure due to taxonomy problem
- Multiseq unusable on M1 Mac
- multiseq/stamp alignment of coiled coil bundle and homo-dimer
- Multiseq: Perform peptide trajectory clustering
- MultiSeq: STAMP fails
- multistructure XYZ
- mutate amino acid
- mutate by D-residues...
- Mutate nucleotides
- mutate residue
- Mutate Residue Extension
- Mutated model development in VMD
- mutating a residue
- Mutating a residue to a nonstandard amino acid
- Mutation of Amino Acid
- Mutator plugin console
- Mutator plugin error
- mutator plugin generates extra bond for tip3
- Mutator Plugin Patching
- Mutator: Losing Chromophore
- My Protein is a homology model
- my solution to the freezing problem.
- N-methylated amino acid topologies
- NAMD .coor file to pdb, WRITE PDB ERROR.
- NAMD 2.11 Cuda does not work with Quadro FX 3800
- NAMD 2.2 Release Announcement
- NAMD 2.2b1 Release Announcement
- NAMD 2.3 Release Announcement
- NAMD 2.3b1 Release
- NAMD 2.4 Released
- NAMD 2.4b1 released
- NAMD 2.4b2 Release Announcement
- NAMD 2.5 Released
- NAMD 2.5b2 Released
- NAMD 2.5b3 Released
- NAMD 2.6 released
- NAMD 2.6b1 Released
- NAMD 2.6b2 released
- NAMD 2.8 and PLUMED 1.3
- NAMD and FFTK on a Mac
- NAMD and VMD Armv8-A
- namd callback command
- NAMD can't malloc() error
- namd CG minimization error: unable to find angle parameters for nxg nxx nxg
- NAMD Check points
- NAMD Color By Velocity
- NAMD constant pressure/temp advice
- NAMD Developer Meeting 2019
- NAMD developer workshop - Chicago, May 22-23, 2017
- NAMD Developer Workshop at Chicago IL, May 22-23, 2017
- NAMD Developer Workshop at Urbana IL, June 11-12, 2018
- NAMD energy
- NAMD Energy - Hexagonal Cell
- NAMD energy calculation
- NAMD energy on dihedrals
- NAMD energy plugin
- NAMD energy plugin - dielectric constant
- namd energy plugin error: toplevel
- NAMD energy plugin question
- NAMD energy plugin reference
- NAMD Energy Plugin: Cutoff error
- NAMD failure on Berendsen pressure scheme
- NAMD from command line args
- namd gui problem
- namd help?
- NAMD IMD large protein model
- NAMD minimization error
- namd minimization looking for wrong angle
- namd plot not showing full range of data?
- Namd Plot Plugin
- NAMD problem (ReceiveDatagram: recv: Resource temporarily unavailable:)
- NAMD RBCG Tutorial dssp
- namd restraints question
- NAMD setup for organic compounds
- NAMD simulation
- NAMD support for MNDO semi-empirical model
- NAMD to Amber
- NAMD trajectories in VMD
- NAMD tutorial for Windows problem reading pgn file from vmd tkconsole
- NAMD unit cell data
- NAMD, IMD, VMD and interaction
- NAMD-GPU
- namd-I : Constraint failure in RATTLE algorithm for atom 268
- NAMD-L mailing list
- namd-l-outgoing2@halifax.ks.uiuc.edu
- namd-l: .coor and .vel output files not generated
- namd-l: .COOR TO PDB FILE
- namd-l: a display problem
- namd-l: a name quesiton
- namd-l: abnormal water surface after nvt and npt for POPC membrane
- namd-l: Aggregation related analysis scripts
- namd-l: Aligning structures
- namd-l: Analysis plugins for Martini Coarse Grained protein simulations
- namd-l: Announcement: 'Hands On' Workshop on Computational Biophysics (Berkeley, CA, Aug 3-7, 2015)
- namd-l: Assigning Partial Charges to FE in Active Site Superoxide Dismutase.
- namd-l: Atom movement within a range of Z value
- namd-l: Atomselect within radial pair distribution function g(r)
- namd-l: bilayer thickness in simulation of POPC membranes
- namd-l: building a MARTINI bilayer
- namd-l: bulk density in RDF.tcl
- namd-l: Can't find C-PDB bond parameters
- namd-l: catdcd and dcdunitcell
- namd-l: cff91 force field in namd + A Question
- namd-l: Changing the Secondary Structure of a Protein
- namd-l: charm27 forcefield_topology
- namd-l: conformational alignment
- namd-l: connect a spring between all the atoms present in pdb structure
- namd-l: CoordinateTransformation
- namd-l: counterion software
- namd-l: Creating topology for carbon nanotube / any new structure
- namd-l: dcd files generated with catdcd
- namd-l: DCD for windows
- namd-l: diffusion coefficient from rmsd
- namd-l: display all frames simultaneously
- namd-l: electric field
- namd-l: Energy plot script
- namd-l: error in membrane producing
- namd-l: Error in running minimization
- namd-l: FFTK - error
- namd-l: flexible fitting for helical structure
- namd-l: Fwd: conf file for coarse grained simulation
- namd-l: Fwd: parseFEP domain error
- namd-l: Fwd: TIP4P and CHARMM27
- namd-l: Generating PSF for 1JNO.pdb chain A
- namd-l: Gromacs analysis tools for Namd output
- namd-l: Hardware for NAMD / VMD machine
- namd-l: hBond colvars and patching
- namd-l: How to calculate the C alpha RMSD from NAMD trajectory
- namd-l: How to create psf for graphene
- namd-l: How to evaluate the area per lipid and thickness of the lipid bilayer in a membrane-protein system?
- namd-l: how to generate transparent figures?
- namd-l: How to make a disulphide bond
- namd-l: How to play molecule trajectory with VMD?
- namd-l: How to solvate a protein using C36 and not C27
- namd-l: how to use measure hbonds to calculate occupancy of all hbonds in simulation?
- namd-l: how to write a command to close vmd in shell script?
- namd-l: Including two parameters for protein-ligand simulation
- namd-l: is possible to remove the waterbox before running VMD
- namd-l: Is there someway to render protein picture without background color?
- namd-l: LYC Parameter-Topology ?
- namd-l: MMPBSA Energy Calculations using VMD (Post-Processing)
- namd-l: MMTools
- namd-l: Modifying the equilibrium distance for a specific region of carbon nanotube in the parameter file
- namd-l: Molecule drifts and high average RMSD per residue
- namd-l: molecule jumps from one site to the other?
- namd-l: NAMD energy plugin
- namd-l: NAMD ibverbs not working on new cluster
- namd-l: namd minimization looking for wrong angle
- namd-l: NAMD-GPU
- namd-l: NAMDEnergy
- namd-l: NAMDENERGY: function of 'cutoff' parameter when -pme option is enabled
- namd-l: Nanopore simulation
- namd-l: Nanotube Simulations
- namd-l: On-the-fly modification of tclforces script?
- namd-l: Pair interaction calculation is not supported in CUDA version
- namd-l: Parameter
- namd-l: ParseFEP error with FEP in segments at different lambda schedule
- namd-l: pre residues and ligands interaction
- namd-l: Problem on merging multi-psf files into one
- namd-l: Problem with running namdenergy plugin from text interface
- namd-l: Problems with GLUP and ASPP with CHARMM36
- namd-l: problems with in text mode towards pdf and pdb files
- namd-l: Proper use of psfgen "mutate"?
- namd-l: psfgen - pdbalias when using readpsf
- namd-l: psfgen giving wrong structure in the autopdb file
- namd-l: psfgen tyrosine anion-Fe bond
- namd-l: ptraj
- namd-l: Query regarding 'Protein:ligand Standard Binding Free Energies' tutorial
- namd-l: question from a tutorial
- namd-l: Question regarding FEP parameters
- namd-l: question related to rmsd
- namd-l: recentering protein in the waterbox
- namd-l: Recentering the box on target molecule and wraping
- namd-l: Regarding problem in psfgen of heparin
- namd-l: RMSD and RMSF of ligand Only
- namd-l: SASA of PBD files
- namd-l: script
- namd-l: Selecting atom of given residue in namdenergy plugin
- namd-l: selection of cholesterol molecules
- namd-l: Simulation configuration file not accesible
- namd-l: solvate a molecule
- namd-l: Solvation in VMD using Non Standard Solvent System
- namd-l: Strange Bond Behavior Question
- namd-l: STRIDE Algorithm
- namd-l: tcl question
- namd-l: the patch between segments for multiple chains molecule.
- namd-l: the patching problem in psfgen
- namd-l: too large an area/lipid in POPE bilayers using membrane plugin
- namd-l: Truncated Octahedron for VMD and NAMD simulation
- namd-l: Truncated Octahedron for VMD and NAMDsimulation
- namd-l: Turning off forces in VMD
- namd-l: TXT program editor
- namd-l: Umbrella Sampling in PLUMED + NAMD
- namd-l: vecsub:two vectors don't have the same size
- namd-l: velocity IO with psfgen?
- namd-l: VMD Command
- namd-l: VMD-NAMD and PDB element column
- namd-l: volume from VMD and NAMD different?
- namd-l: what does "patch" mean?
- namd-l: wrapping option in namd
- namd-l: wrapping problem
- namd-l: Writing pdb file.. easier way?
- namd-l; question about psfgen (param for CT1?)
- namd/vmd support to GTX-6## series
- namd2 unable to find bond.
- namd2.7b1, tip4p, and dummies
- namd2.exe has stopped working - NAMDEnergy
- namdenergy
- NAMDENERGY analysis
- namdenergy and bigdcd
- namdenergy and simulation with amber ff
- Namdenergy BUG: Namd started without initial box info, pairlist invalid
- NAMDenergy calculation
- NAMDENERGY crashing repeatedly
- namdEnergy doesn't run on clusters
- NAMDEnergy fails to locate supporting files
- namdenergy fulldirect
- namdenergy missing for -dispdev none (vmd 1.8.6)
- namdenergy non-bonded question
- namdenergy pluding error
- NAMDenergy plugin
- namdenergy plugin energy values
- namdenergy plugin for Amber simulations
- NAMDEnergy Plugin in VMD
- namdenergy plugin, selection field
- NAMDenergy plugin_VMD_van der Waal interactions
- namdenergy problem
- namdenergy pugin for interaction energy
- namdenergy: different results for single vs multiple frames
- NAMDENERGY: function of 'cutoff' parameter when -pme option is enabled
- namdenergy: how set "runextcommand"?
- NAMDenergy: how to override a FATAL ERROR
- NAMDenergy: problems on changing VMD version/platform
- namdenergy: writepdb failed
- NAMDGUI
- Namdinator - a web service for automatic MDFF simulations
- namdplot 1.0
- Name / permissions of Optix Diskcache
- Name selections
- NameError: name 'AtomSel' is not defined
- Naming in XmGrace
- Nanopore Sequencing Tutorial Problem
- Nanopore simulation
- Nanostructure Plugin from TCL Script
- Nanotech Ventures 2005 - Tokyo & California
- Nanotube builder bug
- Nanotube in lipid bilayer
- Nanotube Simulations
- Native contacts tcl script crashed
- Native contacts trajectory tool available
- Native OSX VMD version for 10.2
- Natural WeightL0SS Solution
- near clip
- Nearest neighbor selection
- Need a few testers for Linux version of VMD 1.8.3...
- Need compile options for text-only version of VMD
- need convert when using VMD to make a movie under Mac
- Need FFTK Help from Someone w/ Gaussian
- Need GAMESS logfiles for testing VMD's new QM interface
- Need Guidance with pbctools
- need help
- need help - hardware stereo on a Windows PC
- Need help about hbond and saltbridge
- need help for tcl script
- Need help in atoms selection
- Need help in NAMD Energy plugin
- Need help in selection
- Need help sleeping? Read this!
- need HELP with psf file
- Need helps about connecting phantom with VMD through VRPN
- need tcl help, please
- Need testers for VMD/Tachyon volumetric coloring feature :-)
- Need testers: VMD 1.9.2 w/ interactive GPU ray tracing w/ AO, depth of field, etc.
- need urgent help
- need your hep about IR Spectrum Plugin
- Needing to visualize lots of spheres during solution steps
- NetCDF (Amber MMTK) plugin
- Netcdf files
- netcdf for plugins
- NetCDF plug-in for VMD
- NetCDF plugin
- netcdf trajectory file
- NetCDF type is missing
- network analysis for gromacs
- network analysis on Windows 11
- network path analysis
- Network Path Backtraces
- Network View -- how to Load Network from command line
- Network View plugin
- NetworkView - Path lengths
- NetworkView -- Averaging SEPARATE contact.dat files?
- NeutronRefTools ?
- never mind .. got it
- New "surf" calculations in VMD 1.9.1 beta
- New AMBER 7 file reader plugin, testers needed :-)
- New and updated plugins for VMD 1.8.2 posted
- New and updated VMD plugins posted (update 4, 7/8/2004)
- New Athlon64/Opteron AMD64/EMT64 test version...
- New atom types in VMD
- New BioCoRE server released
- New Cartoon and Simulation Question
- New Cartoon representation - Ubuntu
- New Cartoon representation problem
- new cartoon representation resid selection
- new color scale
- new coordinates
- New crystallography plugin
- New empirical force field tools: Release of R.E.D. Server Dev./R.E.D. Python
- New LAMMPS atom style for TopoTools
- new machine problems.
- new macs out
- New Molecule (or Load Data) resets viewpoint of Display. Why?
- New Multi-platform Surface and volume Calculator
- New NAMD version 2011-03-03 uses
- NEW New
- New OSX Requires 64-bit DMG
- new problem
- New Release: Planetsweep Revolutionizes Internet Browsing
- New Sharp 3D Notebook Available with Linux
- New stage?
- new structure file
- New test version posted...
- new type cross terms in topo tool
- new user animation question
- New User Cannot Access VMD on Windows
- New user encounter an error as follows ;please guide me :: Tutorial
- New User of VMD
- New user questions
- new user: how to load output file
- New version of CatDCD available
- New version of Molefacture -small molecule modeling tool- posted
- new version of VMD
- New version of VMD movie script/plugin available
- New version very slow?
- New version very slow? Fixed also...
- New version very slow?... me too
- New VMD 1.8 alpha 20 MacOS X native OpenGL test version...
- New VMD 1.8.6b15 installer for Windows XP x64...
- New VMD 1.9.4 test versions posted with many new updates/features...
- New VMD CVS tree location, update your aliases...
- New VMD development pages
- new VMD plugin for H5MD file format
- new VMD plugin for reading LAMMPS dumps with variable number of atoms
- New VMD User's Guide available
- New vmd Windows version crash
- New VMD-L subject lines...
- newbie issues
- Newbie question - Labeling a residue
- Newbie Questions
- Newby unable to see secondary structure in New Cartoon
- NewCartoon and mol2 files
- NewCartoon not among Drawing methods
- NewCartoon or NewRibbons Secondary Structure methods don't work with latest updated Mesa 22.2.3
- NewCartoons / STRIDE problem
- NewRibbons/NewCartoon problem due to missing CUDA ?
- Nightly VMD web updates running again...
- NMR module in VMD ?
- NMWiz - a new VMD plugin
- NMWiz Arrow Colors
- No 'Primary File Type' in Load menu (v1.8a10 on MacOSX)
- No bonds
- No bonds in the generated psf file
- no convergence in align
- No Display when running vmd 1.3
- No error details for VMD compilation from Source.
- No ffTK .gau Extension in Determine File Type in VMD for Visualization Problem?
- No file upon rendering
- no main window
- no main window with ATI openGL
- No native HOOMD xml support for Windows?
- No NetCDF file type for Mac Catalina
- No prescr1ption? No problem!
- No residue of segment error
- No sequence tool for DNA
- No stereo display support in Windows Vista...
- No stereo mode in vmd -dispdev none ??
- no subject
- No timestep available for 'within' search!
- no transparency on newest iMacs
- NOC (current version 1.5.2.10) a new, free program for protein structure model-building, visualization, validation and analysis
- NOC 3.0 is released
- Node selection in network view
- non-bonded interactions
- non-bonded residue-residue namdEnergy question
- Non-cuda version of VMD on Linux?
- Non-functional RMSD Visualizer in 1.9.4a53, windows
- non-heme iron coordination with His in NAMD2
- Non-natural amino acid issues with autopsf
- non-orthorhombic PBCs
- Non-protein Multiple-Frame File
- Non-serious query
- non-standard residue
- non-standard solvents
- Non-standard solvents in Solvate
- non-water solvent prepared by VMD
- nonbond and covalent bond
- Nonbond energy between 3 part
- nonbond interaction energy
- nonstandard solvate + cyclic peptides in explicit DMSO box + gofr
- Normal mode analysis
- Normal mode analysis in VMD
- Normal VMD crashed when pdb load but Debug mode works
- Normalization of RDFs in gofr plugin
- Not able to read a restart file from AMBER
- Not all frames loaded
- Not calculate bonds by default.
- not to display atoms in certain region
- not very helpful documentation
- not work "selection atoms" for trajectory of dl_poly
- Note about VMD 1.8.1 on on MacOS X 10.1.x....
- Note to VMD-L about posting attachments etc...
- Nothing happens with Window's install
- novel residue creation and parameterization
- Novint Falcon
- Novint Falcon in VMD - help with setup
- NT in bilayer
- ntdll.dll problem when changing drawing methods
- ntermolecular atomselection
- Nucleic acid topology file for PSF generation
- number of atoms changes on loading .cms file
- number of frames in pdb file?
- Number of Frames in VMD
- Number of H bond formation in VMD
- Number of Hydrogen Bonds among Water an Protein
- number of line in the VMD TkConsole
- Number of pdb and psf atoms are not the same!
- Number of water molecules as a function of residue
- number of water molecules within 5 angstroms of the ligand
- number of waters around a protein
- numbonds
- Numeric Library of Python for VMD 1.8.7
- numeric python
- Numerical data from electrostatic calculations
- numerical output for SURF?
- NUMLP NUMLPH section eliminated by VMD 1.9.4a57
- NuVision glasses
- Nvidia 3D vision not working in Windows 10
- nvidia 6106 kernel drivers and opengl
- nvidia cuda mismatch
- nvidia driver
- nVidia Driver 7664 for Linux
- nvidia drivers and 64bit OS VMD/PYMOL
- NVidia GeForce 3D Vision
- NVIDIA GeForce GT 750M and CUDA
- NVidia GeForce issues on PCs (article URL)
- Nvidia GPU driver not detected with VMD
- Nvidia graphics card with VMD
- NVidia OpenGL HOWTO for Linux users...
- nvidia optimus problem for 1.9.2
- NVIDIA Quadro - CrystalEyes - Linux
- NVIDIA Quadro - CrystalEyes - Windows]
- Nvidia quadro Fx1300 problem
- nVidia Quadro FX1400 Stereo Clone Mode
- nvidia quadro, linux_x86, and performance difference w/nvidia drivers 1.0.5336 vs anything newer or older on VMD 1.8.2
- Nvidia update 1.0-7664 success for VMD-1.8.3
- nvidia woes.
- NVIDIA, SGI and VA Linux To Bring Graphics Standard To Desktop Linux Market
- NVT system: constant energy, small DCD file size
- NYT article on SARS-CoV-2 aerosol+virion simulations w/ NAMD+VMD
- obj export
- OBJ rendering with multiple colors and transparency
- obj/mtl and isosurface as wireframe, possibly a small bug
- Obscure bug in RMSD tool (the original)
- obscurity in sbcg tutorial description
- obtain a list of residue numbers
- Obtain solvent-accessible surface vertices
- Obtaining a list of surface exposed residues
- obtaining lists of bond, angle, and dihedral interactions
- obtaining the axis of a helix
- Obtaining VMD view matrices for tcl script
- Occupancy maps
- Occupancy volume quantitation
- Oculus Rift
- Oculus Rift DK2
- Oculus Rift support in VMD?
- odd render problems with Vista
- of diet pills, like a racing heart or queasy stomach
- OFF drawing method
- Off Topic: Small Molecule Modeling
- Offset for frame ids in dcd trajectory
- OH- Drude parameters
- OmpF biological unit
- On CHARMM angle bending potential
- On Cremer-Pople ring puckering
- On solvate plugin
- On the behavior of "graphics material"
- One more psfgen question
- One of a kind replicas
- one residue rmsd
- One same issue happened as before in fftk
- One Year written repl1ca w4tches warranty
- Ongoing problem with QwickMD plugin
- Online Colvars Dashboard mini-workshop - January 17
- only one model is displayed
- only show some HBonds
- only vmd console
- opdating the selection during trajectory
- Open diff pdbs with diff # of atoms?
- open position in Computational Physics
- Open VMD from a remote host
- Open VMD in current terminal directory
- opendx and vmd
- OpenDX file format website down: What do the three values at each grid point represent
- OpenGL
- OpenGL acceleration from eGPU?
- OpenGL cards for workstations
- OpenGL Display
- OpenGL Display not working
- OpenGL Display slow/freeze
- OpenGL Display transparent
- openGL error
- opengl libraries
- openGL library
- OpenGL library loading
- opengl not found
- OpenGL problem
- OpenGL Programmable Shading not available.
- OpenGL Shading Program is not available
- OpenGL Window
- OpenGL window not rendering over ssh but works when connecting from other computers and works fine locally
- opengl window resize hangs on linux/nvidia
- openGL x,y position
- OpenGL, rendering spheres
- OpenGLExtensions.C compile problem
- Opening amber files in VMD
- Opening DCD file >2GB
- Opening file after i downloaded vmd
- opening gromacs .gro file gives warning messsage and does not display the molecule
- Opening GROMACS Simulation File
- opening VMD on OSX
- OpenSuSE 10.3: ppmtompeg and MovieMaker plugin
- Operations with MD frames - acquiring time infromation
- OPLS force-field in NAMD
- Oprah certified wieght loss solution Acai.Berri.
- Opt. Bonded: Angle in multiple rings
- Optimal path calculation using NetworkView
- Optimization of torsion angles with fftk, large force constant
- Optimizing an inter-residue distance measurement
- OptiX AO rendering
- OPTIX ray tracing option not showing up
- optixRender error
- OptiXRenderer) ERROR: Launch failed
- ORCA Orbital Bug
- ORCA Plugin
- ORCA within ffTK Dihedral Angle Optimization Inquiry
- Order of atom indexes for a Fragment
- order of atoms in an improper dihedral
- order parameter from trajectory
- Order Parameter Script for changing bilayer normal
- order parameters for long lipids
- orient - winVMD
- orient package problem
- Orientation an rotation of molecules in a movie
- orientation of hexahedrons parallelepipeds unit cells relative to x,y axes
- orientation of protein molecule
- Orientational correlation function
- orientational correlation function for protein
- Orienting a Protein
- orienting aquaporin in bilayer
- Orienting molecule along principal axes
- origin in VMD
- orthographic views and size
- OS X Connection between VMD and AutoIMD
- OS X intel binary problem
- OSPRay error on startup Windows11
- Ospray vs Optix
- OSX 10.6 support?
- osX anti aliasing and rendering speed / window size on linux
- OSX quad buffered stereo possible on older G5 with GeForce FX5200!
- osx startup script
- Other color scales than the predefined ones
- Other color scales than the predefined ones?
- Other glasses with CE emitters?
- other-endian dcd problem also when trajectory obtained over network?
- Out of memory when loading 700 MB trajectory file
- Out of office until Nov. 16
- Out of town until 3/28/2005...
- Out of town until November 1
- out-of-core visualization of large trajectories
- out-of-order writegmx with topotools 1.2
- Outdated Tutorial Files?
- Outline rendering style with Tachyon
- output
- output data file problem
- output file format
- output of distances between atoms or coordinates
- Output of forces
- output of salt bridge plugin
- output of the ssrecalc command
- Output of topo getbondlist to text file from VMD
- output secondary structure assignment into a file
- output values in my script
- Outputing Dihedral Indexes for key structures (backbone, alpha-helix, etc...)
- outputing secondary structure from timeline
- outputing xyz coordinates of selection
- over-long bonds only in multi-frame trajectory
- Overlap of volume maps in VMD
- overlapping two structures
- overlay
- Overlaying 2 structures
- overlaying more than 2 molecules
- Overlaying multiple files in VMD
- Overriding default bond heuristics
- overriding predifined types for coloring
- package ::struct::set not available
- package MDEnergy
- package psfgen: Failed to set coordinates for C3
- package require help
- package require Tcl 8.5 => ::tcl::mathfunc::
- Packed with Antioxidants . Acai Berry.
- Packing periodic simulation using Pbc wrap error
- Pair interaction calculation for large number different pairs
- Pair interaction calculation is not supported in CUDA version
- pairInteraction and NAMDEnergy
- Pairwise RMSD
- pairwise rmsds in rmsdtt cvs1.9
- panel missing!
- Paper request : Assembly and Analysis of Cell-Scale Membrane Envelopes
- Parallel analysis using dynamic atom selections
- parallel capabilities
- parallel processing in vmd
- parallel rendering across clusters?
- Parallel rendering example from tutorial, "VMD parallel commands"
- parallel VMD
- Parallelization to an axis
- Parameter
- Parameter and topology
- Parameter and Topology File UPDATE.
- parameter file for CHARMM
- parameter file for DAD
- parameter file for dUTP
- Parameter file for protein siloxane interactions
- parameter files
- parameter tool tutorial
- Parameter-Topology-Repository
- Parameter/topology repository
- Parameterization strategy with fragmentation in fftk
- parameterization tool
- parameterizing a peptide with a methylated backbone nitrogen
- parameters file of POPC
- Parameters for HS(CH2)11NH2
- parameters for PE100 chain?
- Parametrization of hydrogen sulfide
- Parametrization of sulfur-containing compound with ffTK
- paratool
- paratool - parameter generation from gaussian log files
- paratool ?
- Paratool Add/Edit Internal Coordinates window
- paratool and fatal error
- paratool and g09
- paratool CHARMM style charges
- paratool dont recognize gaussian output
- paratool error
- Paratool in VMD
- paratool problem
- paratool questions
- Paratool Tutorial
- paratool tutorial/ complete user guide
- Paratool Window
- Paratool Window)
- paratool/forcefield tool error
- paratool/gaff
- paratool/gaff -- Forgotten attachment
- paratool: gaussian output error
- Paratool: QMTool::bondlist error message
- paratool: unable to load optimized geometry
- Paratool:Problems to load Hessian for charge distribution
- Paratool`s error reading single point calculation.
- Paratools
- paratools charmm partial charges
- Paratools problem with Gaussian Output
- Paratools Question
- parent molecule
- parm7 plugin
- Parse Fep plugin error
- parseFEP and solvate pulgins in VMD 1.9.3
- parseFEP domain error
- ParseFEP Error
- ParseFEP error with FEP in segments at different lambda schedule
- ParseFEP for restating FEP
- ParseFEP in text mode
- ParseFEP plugin error
- ParseFEP_domain error
- Parsing error in TkConsole
- Parsing exit code from TCL script to bash bypassing VMD
- Part of my molecule isn't rendering in New Cartoon
- Partial black screen with Tachyon RTX RTRT
- Partial rendering of periodic cells`
- partially loading all dcd files using animatedcds X_ChangeProperty: BadValue
- particular set of xyz coordinates in PDB causes seg fault
- pass variables from the shell to VMD
- passing arguments to a vmd script which is executed using play or source
- Passing frame number list to measure command
- passing parameters to a tcl script
- passive stereo projection using a Mac
- passive stereo setup on linux
- patch CT3 and ACE problems in PSFGEN
- Patch DISU fails for MARTINIZED protein segments
- Patch for deoxy and dideoxy nucleotides
- Patch for Three or More monomers
- patch in psfgen - ionic interaction and hydrogen bond
- patch SAM in psfgen
- Patch to connect monomers code
- Patching for bond between protein and organic ligand
- Patching Glu/N-terminus peptide bond type bond
- patching of sucrose
- patching residues
- Patchlet for MacOS 32/64-bit compilation
- Pause script, make display interactive, then resume script after user input
- PBC
- PBC & Solvate Tool in VMD
- PBC + DCD wrap/unwrap
- PBC - setting box size
- PBC and H-bond detection
- pbc and measure hbond
- pbc and vmd
- PBC atom selection and contacts
- Pbc box on, default
- pbc box problem
- pbc box unwrapping/wrapping error infinite bond angles/box sides
- pbc get -all fails
- pbc in water count
- PBC issue
- pbc join
- pbc join bondlist
- PBC missed in Amber MD
- PBC Option With Solvate Tool
- PBC Plugin
- PBC problem in gofr
- PBC Shift Center
- pbc to keep membrane in center
- PBC tool does not read center from a xsc
- pbc tools
- PBC unwrap a membrane
- pbc unwrap doesn't work
- pbc unwrap not complete
- pbc wrap
- PBC wrap (close to the boundaries)
- pbc wrap + within VS pbwithin
- pbc wrap -center com
- pbc wrap center on protein
- pbc wrap command for two chain protein structure
- PBC wrap deleting PBC boundaries during wrapping
- pbc wrap for nonbonded group of atoms
- pbc wrap issue
- PBC wrap on hexagonal periodic cells
- pbc wrap question
- PBC wrap with an octahedral water box
- PBC Wrapping
- pbc wrapping problem
- pbc-box
- pbc: relation of orthonormalizing; cart. coords; rotation matrices.
- pbctools & Desmond trajectory with protein units 'jumping' into other cells
- pbctools installation error
- pbctools on alpha version
- PBCTools Plugin
- pbctools plugin & protein-bound ligand
- pbctools usage
- PBCtools verison 2.3: how to obtain it?
- PBCTools-problem getting unitcell parameters
- pbcunwrap, DL_POLY v 3
- PBCWrap for Gromacs?
- PBCwrap tools
- PBCwrap: wrapping DCD files
- PBS script for LINUX cluster
- pbwithin a defined coordinate
- pbwithin and within differences
- pbwithin selection
- PC suitable for visualisation of large systems, maximum namuber of atoms in a .pdb file
- PC-gamess
- PCA analysis of NAMD dcd files
- PCA of desmond trajectories
- PCA/NMA/Secondary structure analysis with bigdcd
- pdb - generation
- pdb -arge magnitude coordinates
- pdb and topology files for DNA
- pdb animation
- PDB CONECT
- PDB COORDINATES
- pdb download bug
- PDB file
- pdb file generated not readable by tleap
- PDB file output
- pdb file reading error
- pdb file with different number of molecules
- pdb files
- PDB Files for Carbon Nanotubes
- pdb files in VMD/NAMD TUTORIAL
- PDB Format
- pdb from trajectory
- PDB loading in old vmd versions
- PDB manipulation
- PDB manipulation options
- pdb naming convention
- pdb naming convention to get ribbon representation
- PDB Parser cannot interpret ^M ?
- PDB Question
- pdb reader plugin error checking
- pdb reader/writer appears to corrupt pdb output
- pdb structure off the web
- PDB structures of peptides
- PDB to STL help needed
- pdb was not generated
- PDB with CONECT records
- pdbalias not working
- PDBx and chain IDs in VMD 1.9.4a55
- PDBx/CIF Problem on New PDBs
- PDMS with VMD
- Pegasus Technologies FreeD drivers?
- People having plugin troubles, READ THIS
- peptide builder
- Peptides with Linkage between N-Terminus and Side Chain
- Per Residue Interaction Energy from Desmond MD simulations
- Per-frame 'graphics'?
- per-residue alignment
- Percentage Helicity calculation in VMD
- perform hbond analysis in the terminal
- Performance of psfgen...
- performing PCA in VMD
- Period images not appearing
- Periodic BC
- Periodic Bonding
- periodic bonds in vmd
- Periodic boundaries and long bonds
- Periodic boundary conditions
- periodic boundary conditions (yes, i read the tutorials)
- periodic boundary conditions displaying
- Periodic boundary conditions for multimeric systems
- periodic boundry in movie
- Periodic box display feature suggestion
- periodic box image in tcl script
- periodic box lines
- periodic box manipulation
- periodic box manipulation (solution)
- periodic boxes
- Periodic builder?
- Periodic cell has become too small for original patch grid
- Periodic Conditions for Hexagonal Membrane System
- periodic display and space group and VMD
- Periodic display problem
- Periodic image
- Periodic image and transformation matrix
- Periodic Images
- periodic images for trajectory
- periodic images in the hydrogen bond tool
- periodic images of molecule containing custom graphics
- periodic images with xyz coordinates
- Periodic Tab with PDB input
- periodic woes
- periodical boundary condition associated chain seperating?
- periodicity and bonds
- Permanent position Research Software HPC Engineer at the University of Delaware
- Persistent troubles with tk fonts
- Perspective Ratio Problems
- PET force field & topolgy files
- Ph.D. and Post-doc positions in molecular simulations and structural bioinformatics
- Ph.D. candidate position in biomolecular modeling or bioinformatics
- Phantom and VMD
- Phantom Omni Haptic Device
- phantom omni linux install
- phantom omni linux install: Phantom OMNI HOWTO
- Phantom on Sgi?
- PhD and postdoctoral positions in biomolecular simulation
- PhD position available
- PhD position in Computational Structural Biology at MPI Muenster
- PhD Position In Computational Structural Biology Of Membrane Proteins
- Phi and Psi angles for particular residues as a function of time
- phi and psi information
- phi-psi plot
- Phonon spectrum and VACF
- Phosphate ions
- Phosphate mass
- phosphorylation modelling
- pick atom id script
- pick center with tcl text command
- Picking atoms
- Picking atoms: romoving or changing the position of atoms
- picture/resid color
- Pictures
- pictures with frame
- pictures with frame (corrected)
- pKa and Temperature in MD
- Place complex in the center
- Place multiple proteins into membrane
- Placing a peptide between two points
- placing graphics objects at fixed locations on the display
- placing text labels near atoms using draw text
- planned support for Catalina?
- Play at the world's leading online casino.....
- playing legos with peptide segments
- Playing part of a trajectory using TCL
- Playing trajectories using HMDs
- Please help me understand the .dx file generated when using PME Electrostatics Analysis
- Please remove me from mailing list
- please remove me from the list
- Please unsubscribe me from VMD mailing list
- Please vote for VMD in HPCWire Reader's Choice Awards....
- please, give me a tip
- Please, help
- pleaseme help how to build Metal ion topology file conneted
- PLO2 Patch
- Plot a time line in the movie made with VMD
- plot color scale for volume slice
- Plot of distance between two atoms vs frame number
- plot residues without hydrogen atoms
- Plot RMSD/RMSF/SASA Results from Multiple Trajectories on Same Plot
- plot secondary structure of protein along trajectory.
- plot the box margins
- Plot the value of the current frame in the Progress Bar for elapsed Time
- Plot waters vs time in a trajectory
- plotchart problem
- Plotting elect. pot. surface
- Plotting Number of Hbonds and % Helicity with Time
- Plotting of Co-ordinates on VMD
- plotting on Mac
- Plotting orbitals from Molden file
- Plotting potential energy
- plotting spin density
- plotting wave functions
- plotting x y z data
- Ployhedra in VMD
- Pls help me to render files with only traces of proteins!
- Pls help me to render files with only traces of proteins!]
- Pls help, Q abt PDB->PSF
- PLT file format?
- plt plugin found
- plt plugin missing (?)
- plug-in for DNA .dcd
- plug-in for multiple frame xyz files
- plugin
- plugin : membrane builder : "integer value too large to represent"
- Plugin compilation
- Plugin compilation problem
- plugin for Abinit output files
- plugin for reading (and writing) trajectories with a varying number of atoms
- Plugin Issue
- plugin path problem
- plugin problem
- plugin problems
- plugin source tree
- Plugin testing
- Plugin to read DCD files
- plugin: can I load volumetric data as frames (i.e. timesteps)?
- Plugin: molfile_plugin_t filename_extension; problem and bug...
- Plugins and did I compile VMD correctly?
- plugins compilation problem - gcc switches
- Plugins Problem with 1.8.1b2
- Plugins show no text
- Plugins update
- Plugins use after compilation question
- Plugins...
- plugins/hesstrans/Makefile recurses on CXXFLAGS
- Plugins: plz add one more conversion to unit_conversion.h
- PME boolean
- PME calculations
- PME Electrostatics Error
- PME isosurface not superimposed on protein
- PME plugin
- PME units
- PME values
- PMEpot + bigDCD ?
- PMEpot plugin
- PMEPot plugin: epilon-surface
- PMEpot units
- pmf calculation
- PMF Question
- PMF vs distance plot from isosurface
- PNY Quadro4 980XGL Card
- Points of interaction in DNA linked proteins
- polar coordinates
- polar hydrogens
- polar surface area with VMD!
- polyethylene topology
- polyhedra / based on atom selection
- polyhedra representation + periodic images
- Polyhedra with two selections?
- polymer bead spring model file format
- Polymer Building in VMD
- Polymer helix wrapping on the outer surface of carbon nanotube
- polymer molecule orientation parameter
- polynucleotide builder
- Poor Hydrogen Placement in AutoPSF
- Poor man's stereolithography
- poorly get coordinates
- POPC from charmm27 to charmm36
- POPC lipid parameters reference
- POPC membrane equilibration
- POPC membrane in Leap, Amber Format
- POPE CHARMM36 generations error.
- POPS topology file
- pops/popc lipid bilayer
- porcupine plot
- porcupine plot - dynatraj server missing
- Porcupine plot with nmwiz
- porcupine plots for PC1
- Porcupine update
- PorcupinePlot: invalid command name error
- Pore lining residues over a trajactory.
- pore radius measurement
- pore visualization in throughout trajectory
- Pore volume/radius in protein bundles
- porsche design is your style;
- position of protein respect to membrane
- positioning a protein with trans etc.
- positioning of a compound
- Positioning protein on membrane-water interface
- positively charged portion of the protein surface
- Possible Bug
- Possible bug in freeing global selections
- Possible bug in LAMMPS plugin
- Possible bug in topotools plugin
- Possible bug in vmd 1.8.7 alpha?
- possible chain select bug on RCSB ".ent" files
- Possible error in aligning/computing RMSD of 2 molecules with three or two atoms
- Possible handle leak in 'measure gofr' VMD 1.9.1 Windows (no cuda)
- possible issue with specden package
- Possible malfunctioning of VMD with Yosemite?
- Possible memory leak in vmd 1.9.4a38 or FFTK on Linux
- Possible memory leak with adding and deleting molecules frequently
- possible memory leak with pbc wrap
- Possible MPI code problem (and fix)
- possible problem with graphics rep gui under with large numbers of molecules
- Possible to run VMD in parallel - Reg
- Possible values for "select_method"?
- Postdoc Position at Penn in Chromosome Modeling
- postdoc position available
- Postdoc position available...
- Postdoc position in computational biophysics and nanotehnology
- Postdoctoral fellowship Computational Drug Discovery
- Postdoctoral positions in Australia
- Postdoctoral researcher position in computational virology.
- posting from Yahoo addresses disabled
- Posting messages to VMD-L truncates the empty spaces in lines
- pot.dx file question
- Pot.dx files
- pot.dx question
- Potential Bug Using NAMD Energy Plugin from the Command Line
- Potential bugs in ffTK dihedral optimization
- Potential map animation, help!
- Potential map display in VMD (GRASP)
- Potential map of Electric field of charged gas
- Potential memory consumption bug in VMD 1.9.1
- potential surface
- POV failure 2nd try
- POV render fails 2nd time
- POV renderer and volume coloring problem
- POV-Ray
- POV-Ray 3.6; VMD Movie Maker; Continuous Render (UNCLASSIFIED)
- Povray & color gradients
- povray images allways perspective?
- povray problem: degenerate cylinder
- povray problem: degenerate cylinder revisited
- Povray render cuts litorice,bond,cpk representations
- povray rendering help
- Povray renders labels always centered
- ppm files
- ppm image conversion gpu dependent?
- ppmtompeg
- PPMTOMPEG Quality
- pqr files----
- PQR parser failure in pqr plugin 0.5 and pqr plugin in latest alpha
- Prachi Singh's mail
- pre residues and ligands interaction
- Precompiled 1.8.5 for Linux-IA64 installs with wrong flags in lib directory?
- precompiled python libraries still work for vmd 1.9
- prefferential adsorption analysis
- Preparation of Boron nitride using Carbon nanotube builder
- prepare initial structure
- Preparing Simulation Files Quickly Using QwikMD
- preriodic box problem
- PRES and water-ions issues with charmm36
- preserving atom index or hexadecimal residue numbers after writepdb
- Pressure and Gpressure output in NAMD
- Pressure Control
- Prest1ge Repl1cas ravishing repl1ca w4tches for you
- Prest1ge Repl1cas your source for high-quality w4tches
- Pretty Picture
- Primary structure,
- Principle Component Analysis of Protein PDB Structures
- Print and save DLPOLY HISTORY plots
- Print array
- print numerical values in a Ramachandran plot
- print results to file
- printf in tcl script
- Printing accessible hydrophobic surface area
- Printing Coordinates with Tcl/Tk
- printing out trajectories with some random indices of atoms renamed frame by frame
- printing real 3D model using z-printer
- Printing simulation box vectors to the display window
- printing timeline window with axes
- printing to a file from a procedure to get RMSD
- Probe orientations in ILS
- problem
- problem about "mol load psf md.pdf pdb md.pdb"
- problem about displaying hbond in periodic box
- problem about dowser
- problem about hotkey for vmd-1.8.3 windows version
- problem about running
- problem at convert single trajectory frame to pdb
- Problem building POPE membrane with plugin using CHARMM36
- Problem building vmd 1.8.3 and destroyed usable 1.8.2 version
- Problem by removing vmd 1.9.1 and installing 1.9.2.
- problem compiling on redhat 7.0
- Problem compiling VMD 1.9.3 on macOS Catalina 10.15.3
- problem compiling vmd from source.
- problem connecting namd/vmd using charmrun/charmd
- problem controlling orientation of the simulation box drawn by pbctools
- problem creating psf
- Problem creating tetramer from a monomer
- problem displaying CPK
- problem downloading VMD 1.8.6 source code
- Problem drawing cylinders with a foreach loop - TCL syntax issue.
- problem during movie making
- Problem finding center of mass for all the frames
- Problem Fixed
- problem for saving as jpg file
- problem for VMD extension_radial pair distribution function_truncation
- problem generating a psf of a solvated system using VMD
- problem generating NAD
- problem generating psf file
- Problem generating PSF file for decalanine...any help?
- Problem generating psf file in psfgen
- problem in autoionize
- Problem in buried surface area calculation
- Problem in DISPLAY of VMD from remote server in local Mac Machine
- problem in extracting frame number
- Problem in finding the HBonds
- Problem in fink install netpbm for Movie Making
- Problem in IMD with Compiled VMD
- Problem in Installing the linus version of VMD
- Problem in invoking VMD
- problem in launching vmd
- Problem in linking (with TCL included in webpdbplugin.c)
- Problem in loading data
- problem in loading dcd file?
- Problem in loading netcdf file from LAMMPS output in VMD
- Problem in loading the trajectories
- Problem in making IMD connection
- problem in minimization while running
- Problem in Network analysis
- Problem in opening VMD on macOS Catalina
- problem in overlapping atoms
- problem in reading .nc NETCDF FILE
- Problem in rendering CG bonds with VMD
- problem in saving the output
- Problem in text mode
- problem in using "Automatic PSF Builder"
- problem in visualizing gaussian log file
- Problem in VMD Big Sur
- Problem installation on RedHat
- Problem installing on linux
- PROBLEM INSTALLING VMD
- Problem installing vmd in UBUNTU 10.10
- Problem loading Amber trajectory
- problem loading dcd file
- Problem loading file in VMD
- problem loading LAMMPS trajectory using VMD
- Problem loading pdb file on VMD
- problem loading trajectory in VMD under windows XP
- Problem Material Studio/VMD
- problem merging two identical proteins
- problem Nvidia and vmd
- problem of calculating hydrogen bonds
- Problem of compiling VMD with options
- problem of displaying simulation box
- problem of exceeding max atom number
- Problem of installing VMD 1.8.3 on Fedora14
- problem of installing vmd 1.8.7 on Mac osx 10.4.11
- Problem of Movie Maker Plugin
- problem of pbc command
- Problem of saving .trj file in vmd
- problem of selection
- Problem of VMD in ubuntu 14.04
- problem of VMD-1.91 in MacOS10.8
- problem of x3d in chrome and IE
- problem on making a movie
- Problem on merging multi-psf files into one
- problem on rmsdtt
- problem reading AMBER7 parm file
- Problem reading mdcrd file
- problem regarding stride
- problem regarding the MC trajectory
- problem regarding timeline
- problem related to generation of average structure from trajectory
- Problem related to the save trajectory
- Problem related to the save trajectory]
- Problem rendering NewCartoon
- problem rendering NewCartoon with tachyon
- problem rendering traj file with tachyon
- Problem resolved
- Problem running CAFE for MMPBSA using CHARMM PB Radius
- problem running pgn script file
- Problem selecting atoms MacOS VMD 1.9.4a55 for MacOS X, 64-bit Intel x86 (x86_64)
- problem showing lammps dump files
- Problem starting VMD with Fedora Core3
- Problem to find the number of frames of a trajectory
- Problem to generate solvent box
- Problem to launch vmd1.9.4 (v2022-04-27) in wsl linux
- problem to render .cms file
- Problem using BigDCD to wrap, unwrap and animate a long MD trajectory
- problem using bigdcd.tcl script does not run beyond the first frame no error reported
- Problem using ied.py
- problem using NAMD trajectory in charmm 32-bit, 64-bit etc. (yes, I posted this on charmm lists too)
- problem using pbc wrap
- Problem using pbc wrap.....
- problem using pbc wrap: broken molecule
- Problem using psfgen and carbohydrate charmm parameters.
- Problem using rotate command in a script ...(2)
- Problem using rotate command in a script ....
- Problem using rotate in a script ....
- problem using saltbr plugin in text mode
- Problem using topo writegmxtop
- problem viewing cube files
- Problem visualizing a pdbqt file generated by AutoDockTools
- Problem vmd 1.9 plus Cave
- problem vmd python
- Problem vmd1.8.5 & vmd1.8.6 on a mac-pro running ubuntu
- Problem w/ DCD Title Block When Saving - Using 'Animate Write' vs Saving Via GUI
- problem when drawing a cylinder
- Problem when labeling atoms on machine with intel X4500HD integreted graphic card
- Problem when loading 1QRA in QwiKMD
- Problem when rendering within a tcl loop
- Problem when using VMD Python Library
- Problem while installing VMD
- problem while integrating bigdcd into a namespace
- problem while running VMD
- Problem while using multiseq
- Problem While Visualising the Trajectory File from LAMMPS Simulation
- Problem wit solvating carbon nano-tube, psfgen) error reading atoms from psf file
- problem with "animate delete all"
- Problem with "bigdcd"
- problem with "measure fit "
- problem with "within" command of VMD
- problem with 'atomselect' command
- Problem with 'measure energy elect' command in VMD
- Problem with 'unwrap'
- problem with -args in text mode
- problem with 1.8.7 installation
- Problem with a tcl script: probable memory overload
- problem with adding ions
- problem with amber 6 restart files (parm and rst)
- Problem with amorphous silicon dioxide: Inorganic builder
- problem with APBS pqr generation...
- problem with ascribing data to the user field
- Problem with assignation of secondary structure in VMD
- Problem with autoionize ?
- Problem with autoionize plugin and long atomtypes
- problem with autopsf
- Problem with Autopsf tool of vmd
- Problem with bigdcd
- problem with bigdcd rmsd calculaton output
- Problem with biotin autopsf
- problem with bitmap rendering
- Problem with bondsrecalc
- problem with building psf file
- Problem with Calc. inter-sel. contacts
- Problem with cartoon and secondary structure
- problem with Catdcd
- Problem with cellBasisVector 1, 2 and 3
- Problem with CG Builder/AutoPSF extension in VMD
- Problem with cionize
- problem with coloring surface by electrostatic potential
- problem with colouring the surface with electroststic potential
- Problem with converting from lammpstrj to dcd using CatDCD
- problem with correct visualization of residues
- Problem with creating psf file from structure made by inorganic builder
- Problem with creation of child fragment in Molefacture
- Problem with Dell Workstation
- problem with density map obtained by volmap
- Problem with differentiating atoms from different frames for dcd file
- problem with dispdev
- Problem with display on Intel graphics card
- Problem with DNA bonds
- problem with Dowser
- problem with DPPC topology
- Problem with exit button
- Problem with FFTK in VMD 1.9.2
- Problem with following NAMD tutorial
- Problem with for loop.
- problem with g(r)
- problem with generating movie from pdb files
- Problem with generating psf and pdb files of metalloprotein made up of two fragments
- problem with generating PSF file for guanine based molecule
- Problem with generating psf using CGENFF
- problem with getting started.
- problem with gopython
- Problem with Hg, H
- Problem with hydration script
- problem with ied and vmd,ImportError: liblapack.so.3: cannot open shared object file: No such file or directory
- problem with IED on VMD 1.8.3
- problem with IED: 'numpy.ndarray' object has no attribute 'typecode'
- Problem with incomplete ring in HIS
- Problem with instalation process
- Problem with Install
- problem with installation
- problem with installing OPTIX ray tracing
- problem with installing VMD on a LINUX cluster
- Problem with Kinetic Energy of Atomselection
- problem with labels
- problem with loading trajectories in timline plugin
- Problem with loop. it s not going to the next peptide
- Problem with make_trajectory_movie_files script for lammps trajectory with -dispdev text
- Problem with measure bond command returning -NaN for some frames
- problem with measure command
- Problem with measuring dihedrals
- problem with memory
- Problem with merging structures!( psfgen) Warning: failed to set coordinate for atom AU0 AU:1 A)
- problem with mol IDs when running script from same VMD session.
- problem with molfacture plugin 1.3
- problem with movie generation
- Problem with Movie Maker
- Problem with moving protein for all frames
- problem with MSMS and VMD
- Problem with N-glycosylation
- Problem with NAMD, fftk and Windows 7 64bits
- problem with namdstats.tcl
- Problem with namdstats.tcl in TkCon
- problem with near clip
- Problem with New cartoon representation
- problem with new plugin installation.
- Problem With No Atoms In Selection
- Problem with orient.tcl
- problem with output format
- Problem with parametrization using ffTK
- problem with pbc
- problem with pbc wrap
- Problem with pbctools join
- Problem with periodic condition
- problem with polygon file conversion to pdb
- problem with protein RMSD calculation due to incomplete wrapping of both peptide chains
- problem with psf file generation
- Problem with psfgen
- Problem with Psfgen 2.0 to create Drude FF .psf file for amino acid
- Problem With Psfgen again
- Problem with psfgen and Drude Polarizable Force Field
- problem with ptch ...
- Problem with QwikMD and glycans
- Problem with QwikMD automatic NTER patch
- Problem with RBCG tutorial!
- Problem with Reading Binary ccp4 File Generated by CHARMM
- Problem with Reading GROMACS file in VMD
- Problem with rendering modified bond label position with Tachyon
- Problem with rendering proper colors in linux
- Problem with Residue Based Coarse Grain tutorial
- problem with RMSD script
- problem with rmsd-fullthrottle
- Problem with running NAMD configuration file
- problem with saving changed coordinates in a new state
- Problem with saving coordinate
- problem with script to get RMSD
- problem with script to get RMSD-solved
- problem with sidechian representation
- Problem with Starting vmd after Debian System Upgrade
- Problem with stride
- Problem with stride, surf and tachyon in Windows2000
- problem with superimposing two proteins
- Problem with Surf representation in the latest version macOS Catalina
- Problem with tachyon
- problem with tcl script in text mode
- Problem with the Box
- Problem with the display panel
- Problem with the Graphics Command
- Problem with the move command to rotate a molecule
- problem with the new cartoon representation mode
- Problem with the script mono2poly.tcl
- problem with time line plugin in VMD
- problem with timeline plugin
- Problem with TIP3 angles during phosphorylation
- problem with tool command
- Problem with topotools for residue >10k
- problem with trr file
- Problem with using bigdcd.tcl
- Problem with using FFKT to optimize bonded parameters
- problem with using parameterization tool of VMD
- problem with vecsub, help with Tcl Script
- Problem with ViewChangeRender
- problem with viewing gromacs xtc files in vmd
- Problem with visualization of structure in amber coordinate format
- Problem with visualizing trajectory produced in Amber
- problem with vmd
- Problem with VMD 'animate' command
- Problem with VMD 1.8.4 on Mac OS X 10.4.6 PPC
- Problem with VMD 1.8a21 under MacOS X 10.2
- Problem with VMD 1.9.1 (CUDA) on Snow Leopard
- Problem with VMD 1.9.1 and OS X 10.10 (OpenGL display freezing on reading PDB coordinates)
- Problem with vmd and pqr file
- Problem with vmd and ssh -X
- Problem with VMD on linux with Xig solved
- Problem with Vmd on SGI + Cavelib
- Problem with VMD's depth cueing and 3DConnexion SpaceNavigator
- problem with vmd/namd connection on linux
- Problem with vmdsphere.frag shader
- Problem with wait
- Problem with webpdgplugin-s.o and TCL while linking
- problem with writepdb
- Problem with writepsf and CGenFF long atomtypes
- problem writing correct format psf file from vmd tk-console
- Problem writing trajectory to "crd" (Amber) format?
- problem/bug? calling hbonds within a loop over the residues (tcl)
- problem/NVIDIA 3D vision/VMD/Windows 7 Pro 64-bit/GeForce GTX680
- Problem: I got a runtime error "CthCreate failed to create fiber!".
- Problem: VMD 1.8.7 beta 5 does not launch on AIX
- Problem: volumetric data coloring fails on AIX5_64 with GXT6500 OpenGL renderer
- problem_1
- problems about atoms display in certain region
- Problems after installation (ubuntu 8.04)
- problems aligning two simillar structures
- problems compiling vmd (1.8.1)
- problems displaying newcartoon representation
- Problems generating movies for vmd 1.9.4a53
- Problems in running AutoIMD
- Problems in setting up low pH systems
- problems loading dcd files
- Problems loading shared object, vmd1.8 linux mesa binaries
- Problems MacOS Big Sur
- Problems of generating the psf file with a protein that has a structural calcium
- Problems Opening Large .dx File
- problems reading rst file as amber7 restart with VMD 1.9.3
- Problems running APBS
- Problems running VMD-CUDA with GNU-Linux
- problems to launch VMD 1.83 in MAC os x tiger
- Problems to load Gaussian .log file in Paratool
- Problems uploading new molecule
- Problems when using specden package in VMD
- Problems with "animate next" inside for-loops
- Problems with a multiple orbital cube file
- problems with a script
- problems with ADP vanadate
- Problems with AMBER trajectories (MOVIE!) and crd-files
- Problems with analysis tools
- Problems with APBS calculations
- Problems with APBS Compatibility
- problems with atomselect: missing selection
- problems with Autoimd on mac os x ( panther )
- problems with autoionize
- problems with autopsf & psfgen
- problems with CG protein-lipidbilayer-water system
- Problems with CGenFF and oxetane ring
- Problems with Charmm dcd
- Problems with charmm36 modified nucleotides for psfgen and namd
- Problems with color
- Problems with external Tachyon Renderer
- Problems with for loop
- Problems with GLUP and ASPP with CHARMM36
- Problems with graphics.color function under VMD's python interpreter
- problems with hotkeys and "user add key" command
- problems with in text mode towards pdf and pdb files
- Problems with large solvation boxes
- problems with large structures
- Problems with licorice representation when rendering 3D PDF for Power Point
- problems with ligands
- Problems with Linux install...
- Problems with Mac OSX VMD and certain PDB files
- problems with manipulating control switches on VMS main menu
- problems with MDenergy
- problems with MDFF
- Problems with MDFF tutorial
- Problems with mouse programming in VMD
- problems with MSMS
- Problems with NewCartoon Cartoon Representations
- Problems with Newcartoon representation
- problems with OSX 64-bit installation
- Problems with PDB file format in VMD
- Problems with povray
- Problems with Psf using Charmm format, solvate and autoionize
- Problems with PSFGEN
- Problems with PSFGEN in Simulation of Water Permeation through nanotubes
- Problems with QwickMD plugin
- Problems with reading Amber NetCDF restart files
- Problems with rendering with POV-Ray
- Problems with RMSD
- Problems with S-Adenosyl-L-Methionine / SAM Topology & Parameter for MD simulations
- Problems with selecting atoms for representations
- Problems with Spaceball 4000FLX
- problems with stereo display on NVIDIA Quadro4 750 XGL
- problems with stereo display on NVIDIA Quadro4 750 XGL]
- Problems with Stride
- problems with tachyon
- Problems with tcl/tk 8.5
- Problems with Terminal and 1.8.4.a22 under OSX (Tiger 10.4.3)
- problems with the Surf...
- problems with vecdist in accepting variables
- Problems with VMD 1.5b1 and XFree4/DRI OpenGL under linux
- Problems with VMD in Federa 4 (x86_64)
- Problems with VMD installation Fedora 12 64bits
- Problems with vmd plugin namdenergy output
- Problems with vmd under Linux
- problems with VMD under linux/64-bit machine
- Problems with ‘Surf’ as a “Drawing method” for protein in VMD installed to a local folder
- problems wrapping waters using PBC tools
- Problems_calling_VMD_remotely_from_cluster
- Problerm with STAMP
- process and plot matrix data
- processing a large "molecule"
- PRODRG generated .gro file
- producing high quality video on Mac
- ProDy issue with QMonly.psf/dcd from QMMM NAMD-ORCA simulations
- progports, new project
- program errors
- program finishes before bigdcd is ececuted completely
- program finishes before bigdcd is executed completely
- Programming problem (making bonds)
- Progress Bar for the Elapsed Time: rendering problem
- Projection of a vector on to another.
- Projection on plane
- proline trans to cis
- Propagating PDB coordinates using Quaternion matrix
- proper enviroment for the VMD namdenergy plugin
- Proper use of psfgen "mutate"?
- properly applying patches to create DPPC
- property iterate over a range (representation / draw style)
- PROPKA doesn't work in recent VMD1.9.1
- Protein Alignment Question
- protein and lipid jumping
- Protein breaks after automatic psf builder
- protein breaks into parts after converting trajectory file to pdb file
- Protein Builder terminus
- Protein cavities
- Protein coordinate rotation
- protein embedding membrane
- protein from protein sequence in VMD
- protein in membrane
- Protein is not read in VMD Normal Mode Wizard plugin
- Protein line chain in water spehere
- Protein move out of the water box in a QwikMD setup MD simulation using explicit solvent condition
- Protein mutation issues
- protein order parameter
- protein peptide alignment.
- Protein Reorientation
- protein residue not being recognized as protein
- Protein residue read as solvent
- protein schematic representaton
- protein secondary structure
- protein surface and volume code
- Protein volume and cavityes
- Protein went out of the Box
- Protein-ligand contact
- Protein-ligand interactions
- protein-lipids v z coordinate
- protein-water hydrogen bonds
- protein-water RDF
- protein/carbohydrate
- proto-HEME parameters
- Protonated GLU/ASP in PSF generation
- proximity of residues
- Pruning defunct users and bouncing email accounts from VMD-L...
- PSA & Rg values
- PSC WORKSHOP: COMPUTATIONAL BIOPHYSICS WORKSHOP
- PSF and PDB files do not show up
- psf and top
- PSF File
- psf file for Doxorubicin
- PSF file generation
- psf file generation.?
- psf file generation: once again
- psf file is changed
- psf file of graphene
- psf file with D-proline
- PSF files append!!
- PSF Files Giving Long Bonds
- psf for a DNA chain
- psf for already hydrogen-added structure
- PSF for AMBER top + crd files
- psf for CNT?
- PSF for CYCLIC PEPTIDE :
- PSF for cyclic peptide nanotube
- psf for cyclic peptide nanotube:psf ready for one ring but required for 8 ring
- psf for protein
- Psf format
- psf gen charmm format
- psf gen: missing atoms for bonds
- PSF Generation
- PSF generation for proteins with isopeptide bonds
- psf generation of circular proteins
- PSF not generating
- PSF Script
- PSF tools in windows and long paths
- PSF works in NAMD but not in VMD
- PSF_and_PDB_file_of_LIGAND
- PSFGEN
- psfgen - loss of disulfide bonds
- psfgen - pdbalias when using readpsf
- psfgen 1.4.7 and CMAP extended PSF
- PSFGEN 1.6.4 autogenerate PATCH keyword not available
- psfgen 2.0
- psfgen 2.0 and Drude
- psfgen 999 waters resname X column
- Psfgen : apply patches
- psfgen and Alternate location indicator
- psfgen and CG
- psfgen and DNA
- PSFGEN and Reading Bonds from PDB Files
- psfgen and unknown residue types
- psfgen and xplor topology
- psfgen building fails due to locale
- psfgen crashes VMD
- psfgen delatom usage
- psfgen deleting water molecules
- PSFGEN error "failed to parse autogenerate statement"
- psfgen error for Argon atoms
- psfgen error with "auto angles dihe patch"
- psfgen error with alias residue
- psfgen error with charmm36 parameters?
- psfgen error: FAILED TO RECOGNIZE LONEPAIR
- psfgen error: MOLECULE DESTROYED BY FATAL ERROR
- PSFgen failure
- psfgen for lipid
- psfgen for protein-RNA complex
- psfgen forces to apply terminils to peptide
- psfgen generates 0 atom .psf file
- psfgen generating incorrect dihedrals
- psfgen giving wrong structure in the autopdb file
- psfgen N-terminal patches
- PSFGEN NAD spilts up in 3
- psfgen not parsing toppar_all36_lipid_detergent.str
- psfgen on console missing dihedral parameters for standard residues
- psfgen on proteins with multiple chains
- psfgen or autopsf
- psfgen patching protein-ligand
- psfgen plugin
- psfgen problem
- PSFGEN problem with URA residues
- psfgen problems of many segment complex
- psfgen problems?
- psfgen probs
- psfgen question
- psfgen script for VMD 1.8.7
- psfgen tyrosine anion-Fe bond
- PSFGEN vs AUTOPSF
- PSFGEN vs. VMD
- psfgen vs. x-plor
- psfgen woes...
- psfgen, adding residues with command "residue"
- psfgen, mutate, and multiple chains
- psfgen-reading residues above 10 thousand
- psfgen: auto none not working
- psfgen: error processing bonds
- psfgen: how to place patches to end of residue definition in pdb file?
- psfgen: last CTER does not work
- psfgen: no element symbol in pdb when occupancy zero
- PSFGEN: Residue addition not working
- PSFGEN::: ERROR: failed on end of segment
- PSFGEN:buiding an uncharged protein
- psfread error
- ptraj
- public VMD cvs server
- Pucker parameters
- Puckering Parameters
- Pulling and Anchoring residues
- Pulling vector direction in SMD
- purple bacteria and psfgen
- put the water box in a grid and traverse for the atoms in each grid
- puts format
- putting a set of selections in a list or an array
- Putting different peptide chains (spaced apart) in a single .xbgf file
- putting Lipid layers around a protein
- Puzzle with "small molecule" ligand structure in nucleotide environments
- puzzling psfgen problem with deleted atoms coming back
- puzzling writepdb error
- Py_atomsel.C: invalid conversion
- Pyhton Mode
- python
- python - writes frames to pdb files
- python 2.3
- python 2.7 probelms
- python and C++ extensions
- Python and numpy
- python and vmd
- python callback!!!!
- python callbacks
- Python callbacks in VMD
- python can't find math module
- Python crash VMD1.9.4
- python create graphics molecule
- Python development
- python disabled
- python disabled (still?)
- Python error
- python error?
- Python for OS X
- Python interface (was: Accessing TCL through Python interface)
- Python libraries for vmd: _tkinter was not enabled in Modules/Setup
- Python libs posted for VMD 1.8.4 users...
- python loop
- python math library
- Python Module
- python Numeric library problem
- Python on Intel Mac?
- python or Tcl/Tk
- Python plans
- python pro.align()
- python question
- python question 2
- python script failed
- python script of atomsel expression
- Python script to fix autoionize issues related to long atom type names
- python simple script
- python support and pipes in vmd
- Python text interpreter in VMD
- python vmd interface
- Python's future in VMD
- Python, Numeric, and Mac OS X problem
- Python, numpy, and so on ....
- Python.h error when compile VMD-1.9.2
- python2.3 and vmd
- python: cannot find library
- python: error importing packages
- python: it doesnt work
- python: packages not found
- python: packages not found also...
- python: packages not found also...(FIXED, thanks John)
- python: packages not found also...(repost)
- Python: radius always 1 for cylinder and cones
- python: readline support
- PYTHONPATH Word too long
- pytjhon
- pyvmd: Highlevel python library for VMD
- Q-chem MD output with VMD?
- q4md-forcefieldtools.org announcement
- Q: Compiling VMD on IRIX 6.5
- Q: MO visualisation
- Q:selection of atoms on the surface of a molecule
- Q=80=9CGraphical_Representation=E2=80=9D_question_?=
- Q=9B=9E=E5=A4=8D=EF=BC=9A__by_using_Ax?= el's HOOMD plugin, convert pdb to xml and missing bond information
- Q=B0startup.command=A1=B1_can=A1=AFt_be?= opened because CoreServicesUIAgent is not allowed to open documents in Terminal.
- Q=BD=AC=E5=8F=91=EF=BC=9A__by_using_Ax?= el's HOOMD plugin, convert pdb to xml and missing bond information
- QFilesize_limit_exceeded_(core_dumped)=94_with_VMD_on_?= Linux
- QM Geometry optimization
- QM_plugin_force_constants
- QMMM simulation orbitals visualization step by step
- QMMM Update
- QMtool gaussian 09
- qpt_conv command of Hole is interactive, how to automate it for multiple frames?
- QR factorization for structural alignment
- Qres portion of MultiSeq for vmd 1.9.2
- qsub (torque/maui) and vmd
- Qtight=22?= selection
- Quad buffered stereo from Quadro M4000 to HDMI monitor
- Quadro 750 XGL problem
- Quadro FX1800 , Stereo and VMD
- Quality of color scale bar when creating images for publication
- quality rendering
- Quantitative meaning of volmap isosurface
- Queries on making polymer
- Querry
- Query
- query about "ViewChangeRender" plugin
- Query about PME data in .dx format
- query about the force field toolkit
- Query about the NAMD user forum
- Query Fields
- Query for coarse grain system
- Query for eliminating proteins with unusual amino acids
- Query for the VolMap plugin
- query on centering the pbc and cut the shell
- Query on GPI-anchor proteins
- query on how to allow the protein to interact with the water molecules
- Query on introducing a protein
- Query on networkview plugin
- Query on preferred encoder/settings for producing MPEG files
- Query regarding 'Protein:ligand Standard Binding Free Energies' tutorial
- Query regarding contact map
- Query regarding getting intial configuration of laponite clay!!
- Query regarding H-bond
- query regarding membrane building
- Query regarding merging structures in vmd!!
- query regarding phi-psi range for asigning secondary structure
- Query regarding qwrap
- Query regarding RMSD calculcation
- Query regarding WISP extension in VMD
- Querying Residue Numbers that are Alphanumeric
- question
- question about "measure dihed" with COM points
- Question about "orient" script
- question about "then: then/endif not found" in the start VMD.
- question about 'measure bond'
- Question about .vmdsensors configuration
- question about an error in QuickMD
- question about atomselect and periodic condition
- Question about autopsf
- question about Ca-dist.tcl
- Question about code
- question about CUDA-enabled
- Question about dihedral angles in VMD.
- Question about Drude polarizable model
- question about electrostatic map visualizing
- question about electrostatic potential maps
- Question about error while using QwikMD files
- Question about eval
- Question about fftk
- Question about FFTK charge optimization procedure to CGENFF modeling
- Question about generating a .js file
- Question about geometrical figures
- question about gofr
- Question about Gromacs box size in VMD.....
- Question about H-bond plugin
- question about hbonds in vmd tutorial Version 1.9.2beta1
- Question about introducing variables in "mol selection..."
- question about ionization
- Question about Keyboaerd events send from other PC
- question about ligand volmap
- question about making movies
- Question about measure cluster
- question about measure contacts
- Question about measure gofr
- Question about NAMD configuration files
- Question about Network Analysis tutorial
- Question about NMD file visualization
- QUESTION about NMWizad
- Question about overlaying structures
- question about periodicity
- question about point substitution A$B"*(BU
- question about point substitution A→U
- Question about PSF generation
- question about psfgen
- Question about Python and Mac osx
- question about RDF
- Question about RDF of VMD
- question about reading more volumes via atomselect or removing of them
- Question about reflecting wall in NAMD
- Question about rendering across multiple frames
- question about rendering images
- Question about RMSD calculator
- question about rotations
- Question about running script for hydrogen bonding analysis
- Question about running tcl/tk script without graphic interface (vmd option -dispdev none ...)
- Question about SASA
- question about script for drawing dipole moment for helix
- Question about secondary structure analysis
- question about selection
- question about setting variables in a loop
- question about sscache
- Question About Tcl variables
- question about the definition of secondary motiffs
- question about the inorganic builder
- Question about the Main Menu window display
- Question about trace vmd_frame(molid)
- Question about using fftk with files from QM calculations from Gaussian 16
- question about using namdenergy.tcl with vmd -dispdev text -e *.tcl
- Question about using psfgen on protein 4HVP
- Question about vdW-area
- question about visualization
- Question about visualization of multiple frame xyz file
- question about vmd use
- Question about vrpn server build for using Phantom with VMD
- question about water sphere script
- question concerning measure gofr
- Question for Installing Plugin for VMD on Mac
- question from a tutorial
- question of iso-surface in VMD graphical representations
- question of PBC
- question on "Recompile VMD with larger index types"
- question on color assignment on trajectories
- question on Force
- question on increasing font size on VMD main menu
- question on ion size
- question on prmtop & prmcrd from leap (amber)
- question on resname
- question on spin density
- question on vmd installation
- Question regarding color schemes on crystals and grain boundaries
- Question regarding dihedral fitting using fftk
- Question regarding FEP parameters
- Question regarding g(r) utility
- question regarding H-bond calculation
- Question regarding HBond analysis
- Question Regarding PME Set-up
- Question regarding selection of atoms
- Question Regarding User-Defined Trajectories
- Question regarding VMD In-situ Remote Visualization on clusters
- Question related to circular membrane
- question related to rmsd
- Question2 about introducing variables in "mol selection..."
- Question3 about introducing variables in "mol selection..."
- Question: Cannot input hostname (LINUXAMD64.opengl)
- Question: Too many arguments
- Question: VMD sasa calculation of the hydrophobic surface area on segname P2
- questions
- Questions - Running vmd on a supercomputer
- questions about "new" posssible features
- questions about developing a plugin
- questions about MSMS and H-bonds
- Questions about outputting an image with specified atom colors
- questions about RBCG
- questions about the electron density map
- Questions about the optimization of a molecule with fftk
- Questions about trajectory files obtained from LAMMPS Molecular dynamics with Reax Force field
- Questions about using VMD to modify/alter nucleic acid structures
- Questions abt VMD plugins
- Questions and Bugs
- questions for 1.8.4
- questions for trajectory analysis
- Questions on VMD
- Questions regarding fftk and Gaussian
- questions relating to VolMapTool
- Questions with Solvation with TIP4P Water Model
- quick help
- Quick question about 3-letter codes for positive residues
- Quick Surf Representation Getting Cutoff when Rendering with Tachyon
- quick tcl question with vmd/psfgen
- Quick TCl scripting question
- Quick wrapping
- quick-surf and throb
- quicksurf and PBC
- Quicksurf crashes VMD on newest Mac version
- quicktime/mpeg movies
- Quikmd hangs on new install of vmd 1.9.4 on BigSur
- Quite confused with Movie Maker
- quitting VMD
- Qurry Regarding Vizualization of two data sets
- Qurry Regarding Vizualization og two data sets
- QwikMD - psfgen: patch and autogenerate
- QwikMD - Steered Molecular Dynamics Query
- QwikMD Add Topo+Param Question
- QwikMD and CUDA10
- QwikMD and platform choice
- qwikmd can't load pdb file, locate "P:/" drive
- QwikMD error
- QwikMD Error in VMD 1.9.4a53 on Windows 10 Computer
- Qwikmd for QMMM simulations
- QwikMD Glycoside Hydrolase Tutorial step 2
- QwikMD premature exit
- QwikMD problem to continue new production simulation session
- QwikMD QM Tut - FATAL ERROR: Error running command for QM forces calculation
- QwikMD Restraints Question
- qwikmd, some dropdown menus missing
- QwikMD/IMD Error connecting to localhost on port 3000
- Qwrap Beta Issue
- qwrap installation
- R.E.D.-III.3 tools release - q4md-forcefieldtools.org
- R/S asymmetric carbon
- R: Distance between center of mass of two amino acid residues.
- R: I: vmd on windows
- R: MM-PBSA calculation
- R: R: MM-PBSA calculation
- Radeon FireGL drivers crash VMD
- radial atom distribution
- Radial Density
- radial density over one frame
- radial distribution
- radial distribution function
- radial distribution function and number integrals
- Radial distribution function calculation
- Radial distribution function from center of mass
- radial distribution function from the center of mass
- Radial distribution function in VMD
- radial distribution function problem
- Radial distribution function script (fwd)
- Radial distribution function: "y" axis
- radial distribution funtion
- radial pair distribution function
- radial pair distribution function: molecule/water?
- radial pair distribution problems
- radius of gyration
- radius of gyration autocorrelation function
- Radius of gyration from Big DCD
- radius of gyration units
- radius of the curvature
- Rainbow color scheme for VolumeSlice / Volume
- Rama plot
- Ramachandran Dihedral Angles Suspiciously Constant
- Ramachandran Map of 2 pdbs
- ramachandran plot
- Ramachandran plot question
- Ramachandran plot tcl script
- ramaplot
- Random deletions of molecules
- random graphics outages on startup
- Random placement of molecules within a defined region
- Random Sudden Increase in RMSD Near End of Simulation
- Randomly select molecules and delete them
- Rapid and accurate parameterization of new molecules in CHARMM
- rasmol script
- raster3d
- Rasterized default display rendering vs ray-tracing (interactive)
- Raytracing with tachyon/povray because of pb with raster3d
- RBCG bead diameter
- RBCG Builder
- RBCG Model
- RBCG models using Martini forces - psf file
- RDF
- RDF analysis using GROMACS trajectory
- RDF and Coordination Number
- RDF and RMSD calculation
- RDF calculation
- RDF calculation for production steps
- RDF calculations
- RDF COM
- rdf curve
- rdf for big systems
- rdf for specific group of atoms
- Rdf from a specific point
- RDF from a trajectory generated by SIESTA
- RDF in big trejectory
- RDF Normalization
- rdf plugin in vmd 1.85
- RDF related problems
- rdf using gui
- rdf with respect to a specific point
- RDF witth center of mass as selection
- RDF.tcl
- rdf.tcl one more time
- RDFs Calculation incorporating PBC
- RDFs etc
- RDFs, TCFs etc.
- Re : ellipsoidal particles
- RE : Get the camera position
- RE : namd-l: AW: Occupancy maps
- RE : NVIDIA GeForce GT 750M and CUDA
- RE : pbc tools in vmd for simulation
- RE : PCA of desmond trajectories
- RE : Plot the value of the current frame in the Progress Bar for elapsed Time
- RE : Replica exchange, colvars & harmonic restraints
- re :psfgen question
- Re PSF file generation
- Re-centering protein molecule
- re-centering view/rotation axes
- Re-create Figures in VMD Images and Movies Tutorial
- Re-numbering resID after psfgen
- Re2: ERROR: graphics: color index value '1057' out of range
- RE??? RE??? proper enviroment for the VMD namdenergy plugin
- Read CHARMM VDW radii into VMD
- Read dcd file error using vmd1.8.5 for windows
- read setting from text file
- Read support for CHARMM binary coordinate file?
- read the pdb file using VMD
- read vector lammps with VMD
- read_next_timestep(...)
- readable files
- reading .vel files and .veldcd files
- Reading a pdbqt file (generated from AutoDock)
- Reading additional atom properties
- Reading Amber .crd files
- Reading Amber .prd and PARM files into VMD
- Reading arrays in VMD
- reading big xtc file
- Reading box info. from PQR file
- reading chain labels from amber prmtop
- reading charmm files
- Reading chemical bonds by VMD from AMBER parm7 files
- reading cmap wih vmd
- reading cube files
- Reading DL_POLY trajectory
- reading DLPoly VMD 1.8.4
- Reading from file
- Reading GOLD .sdf output files
- Reading in a MOL2 file
- reading in trajectory file causes VMD to crash
- Reading in unit cell
- Reading large traj file error or how to divide a large traj file into parts?
- Reading MatStudio/ LAMMPS structures to VMD
- reading minimalised pdb files
- reading multiples molecules.
- Reading new amber prmtop formats.
- reading of one frame from DCD file
- Reading output of quantum packages and plotting orbitals
- Reading PSF files with longer than 4-letter atom types
- Reading PSF with extended atom types
- reading rst7 files generated by cpptraj
- reading structure *.xyz
- Reading the SMD information form the log file
- Reading trajectories from FMO-MD run
- reading/writing
- Readpsf Error
- ReadVarXYZ and measure gofr
- reagsrding writemol2
- Real Cash, Real Profit....Believe it !!!
- real coordinates
- Real-time ambient occlusion lighting
- Real-time Representation Changes During Interactive MD
- RealD (Stereographics) E2SGI emitter on Quadro 3450?
- Rebuilding lipid from headgroup coordinates only using psfgen, some atoms put on origin
- Rebuilding psf file
- Recall: Hbond analysis message
- Recent Geforce Cuda GPU cards(GT 440, GTX 560ti)
- Recent martini top+par+cgc files
- Recent VMD-L mails, etc..
- recenter
- Recenter membrane bilayer to unit cell
- recenter peptide in PBC
- Recentering the box on target molecule and wraping
- Recognition of backbone in 5'-end
- Recognized atom types by VMD PDB reader
- Recognizing Chlorine atoms in VMD
- recognizing TCL variables in a matrix argument
- Recommended Hardware
- Recommended method to attach labels to atoms in VMD
- Recompile VMD with larger index types
- reconstructing PMF
- Reconstruction of XST data from DCD data
- record changed {x y z}
- recovery -e file name w/in vmd
- redefining macros vs. update of selections
- redhat linux vmd
- redirecting to output
- Reduce size/number of nodes/image quality while rendering VRML 2.0 file
- Reduce Waterbox Dimensions Post Simulation
- Redundant entries in force field parameters generated by paratool plugin in VMD
- reference about structure
- Reference for SASA
- Reference to SASA calculation in VMD
- Refreshing the screen
- REG building non standard solvent simulation box.
- reg compilation of vmd 1.9.3
- reg extracting coordinates for first water shell.
- reg FFTK
- reg FFTK BOND opt
- reg interaction energy
- reg list of non standard residues.
- reg membrane hydration using tcl script of vmd
- REG: adding hydrogens using TCL
- Reg: BABEL
- Reg: General question!
- Reg: No. of Frames
- Reg: Peptide dimer
- reg: PHI HEOM tool
- Reg: RMSF
- Reg:Babel
- regarding .vmdrc file
- regarding 1ORQ.pdb
- Regarding adding extra strand in a beta barrel
- Regarding APBS calculation in VMD
- Regarding arsorite files
- Regarding atom index in VMD
- Regarding calculating principal Axis Vectors using VMD
- regarding capsid inner volume
- regarding cionize
- Regarding com file error
- Regarding coordinates transformation
- regarding counting water molecules
- Regarding Distance measurements
- regarding draw_arrow.tcl
- regarding FFTK
- regarding FFTK improper angle
- Regarding FFTK option
- regarding fit_angle.tcl
- Regarding fit_angle.tcl script
- Regarding fitframes.tcl
- Regarding generating force field
- regarding generating movie
- Regarding generating psf file
- regarding h-bod calculation in tk console
- Regarding image quality in vmd
- regarding inner volume of a micelle
- regarding installation
- Regarding installation of DruGui
- Regarding membrane thickness
- regarding merging of protein and a ligand
- Regarding merging of two files
- Regarding Network Analysis
- Regarding paratool
- Regarding paratool, assign atom types
- Regarding pbc tool: pbc join fragment -bondlist + topo tool
- Regarding PBC unwrap
- Regarding Periodic MSM calculation
- regarding positioning of protein molecule
- regarding radius of a 3D sphere
- Regarding RDF and Cordination number calculatin
- Regarding RDF calculation
- regarding representations, resolution and length of trajectory movies
- Regarding RMSD
- regarding rotating dihedral
- Regarding saving data
- regarding selecting complete residues within a distance
- regarding the coordinate transformation on a curved surface to plane surface
- Regarding the latest VMD 1.9.2.alpha builds from BioCoRE
- regarding the python interface of vmd
- Regarding the Use of STL Files as Boundary Features
- regarding writemol2
- Regarding zinc parameters in CHARMM force field
- regd arrangment of atom types in psf and par from fftk
- Register some cell information in XYZ files
- regular expression in Tcl
- Regular Expression problem with $
- Rejecting plugin...
- Release Date for v.1.2 ??
- release memory in TCL
- Release of R.E.D. Server
- Release of R.E.D. Server 2.0
- Release of RESP ESP charge DDatabase
- Release of the R.E.D.-III tools
- Release of the R.E.D.-III.1 tools
- Release of the R.E.D.-III.4 tools
- Release of the R.E.D.-III.5 tools
- Reliable w4tches for everyone at Prest1ge Repl1cas
- REMD + RBCG
- Remembering Klaus Schulten
- Reminder NAMD Developer Meeting 2019
- Reminder: Hands-On Workshop on Computational Biophysics in Auburn, AL
- Remote Control
- remote control (fifo/socket) ?
- Remote control of VMD on SGI-NT mixture
- remote display
- Remote IMD simulation
- Remote indirect GLX, Xquartz and nvidia drivers
- Remote visualisation inconsistency
- remote visualization
- remote_ctl.tcl: VMD's stdout -> socket ?
- remove a selection in vmd?
- remove atoms in a geometric shape using VMD
- remove hydrogen atoms from psf file
- remove my email from mailing list
- Remove overlapping solvent molecules
- Remove PBC
- remove vmd in ubuntu
- remove vmd package in centos
- remove water
- REMOVE WATER MOLECULES WITH A SPECIFIC DISTANCE
- removed all proton in protein with vmd
- Removing all non polar hydrogens
- removing all water molecules
- Removing an installed Plug-in
- removing bonds across periodic boundary in a video
- Removing perspective projection at startup
- removing residues/fragments from the system
- removing rotation in trajectories
- removing structures from a psf&pdb
- removing surrounding water molecules
- removing unwanted residues
- removing water from dcd file
- removing water from inside the membranes in a duplicate membrane system
- Removing water in tcl
- removing water inside the nanotube
- removing water molecules
- Removing water molecules from nanotubes
- removing waters (gramicidin example)
- Renaming Molecule Names in existing .xyz trajectory files
- render
- render "color by volume"
- Render alpha-carbon trace as cartoon
- Render as Object or 3DS file
- Render command not executed
- Render image background-free
- Render in spherical equirectangular projection
- RENDER ISSUES
- render question
- Render Snapshot from the Tcl console (jpg gif format)
- Render straight to ffmpeg/NVENC ?
- Render surface colored by electrostatic potential
- render text in VMD with Tachyon
- render to png, and ppm
- Render to Tachyon Internal in a Tcl script
- Render VR scenes in VMD 1.9.2 (possible?)
- rendering
- Rendering "draw text" in Povray
- Rendering .dat files created from Movie Maker using Tachyon
- Rendering 3D 360 Movies at higher resolution
- Rendering electrostatic surface potentials using Tachyon
- rendering from VMD
- Rendering high quality obj, x3d and other files for use in other 3D representation systems
- rendering high resolution images
- Rendering Images from VMD
- Rendering images like those shown on VMD home page
- Rendering incompletion during Tachyon rendering
- Rendering Labels with Tachyon
- Rendering long and high-quality movies from VMD
- Rendering of screen/display different
- Rendering options
- Rendering polyhedra with POV-Ray
- Rendering problem
- rendering problems
- rendering question
- Rendering resolution
- Rendering snapshots
- Rendering structures with Hydrogen Bonds using Tachyon
- Rendering surfaces from PLT files
- rendering time bars or other vmd added graphics with povray
- rendering transparent objects
- Rendering using GPU
- Rendering usong Tachyon with Tcl scripting
- rendering with a very large scene description file
- rendering with povray in mac
- Rendering with Tachyon GPU enabled (TachyonLOptiXInternal) with options
- rendering.....
- renderman output?
- rending softwares for win98
- Rending to png format using tachyon or otherwise ?
- renumbering residues
- renumbering residues after deletion of atoms
- renumbering water molecules
- Reopening the Discussion on visual VMD container: GLX now enabled
- Reordering atom numbers on a XYZ file
- Reordering atomselection before saving trajectory
- repitition of residue numbers in LIPIDS
- replace molecule?
- replacing an existig residue with a novel residue
- Replacing DPPC with DPPS
- Replica Exchange
- Replica exchange molecular dynamics (REMD)
- Replica exchange, colvars & harmonic restraints
- Replica watch is a perfect gift
- Replica watches make great gifts
- replicating a trajectory in VMD
- replication of bilayer
- reply
- reporting various NVidia driver bugs...
- Represent custom peptide as ribbon?
- represent water molecules
- representation ColorID in Tcl
- representation for multiple molecules
- Representation problem
- representation question
- representation selection funnies
- Representation Selections
- representation using COM
- representation_problem
- Representing disulfide bonds when using psfgen
- request ability to append in CatDCD (and NAMD)
- Request for atom sequence followed by topo tools
- Request for change in gaussian cube reader
- Request for help in command line in VMD
- Request for information
- request for provide a script of rmsf
- request help about hbond
- request to know about bonds in between carbon atoms in carbon nanotubes
- Required Assistance for VMD
- RES: Protein residue read as solvent
- Res: Res: webpdb load problem
- RES: simple script question
- RES: uNABLE TO OPEN VMD ON WINDOWS 2K
- RES: VMD license
- Res: webpdb load problem
- ResdueType and hydrophobicity scale
- Research Position Openings
- Research Programmer for VMD/NAMD at UIUC
- Research Programmers Positions Available
- reseting namd library and uploading new topology file
- Resid and residue atomselect bug
- resid color
- resid le 250
- resid of water that is hydrogen bonded
- residence time
- Residence time calculation
- Residence time of ions
- Residence Time Script (v2.)
- residency times continued
- residue based CG model
- Residue highlighting in MD Traj
- residue index problem
- Residue label moves upon rendering
- residue labels in vmd
- residue list of within ? distance
- residue missed by psfgen
- residue no. greater than 9999 in pdb files created with VMD
- Residue Number Assignment by VMD
- Residue Number Assignment by VMD: RESID vs RESIDUE
- residue numbering TCL versus PDB
- Residue numbers changing after addition of simulation boxes below and above membrane cell
- Residue numbers in outfiles PDB/GRO
- Residue Ordering in Sequence Viewer/MultiSeq
- Residue replacement question
- Residue replacement question]
- residue rotation within single pdb file
- residue selection
- residue selection (water molecule within 5 ang. to protein in simulation)
- residue selection: conflict between resid and residue
- residue torsion angles
- residue within x of <geometric centre>
- residue-residue distances and atom selection bug
- residue-residue interaction energy
- residue_rmsd.tcl
- Residues within a specified distance across all trajectories time steps
- Resize window from TCL
- resizing display exits vmd
- Resname CHARMM to NAMD
- resname X and pbwithin resname X excluding intramolecular
- resolution for previous message
- Resolution of movie?
- resolution screen in Linux
- resolving side chain clashes
- Resonable visualisation of the molecules inside the periodic box ?
- Resp on VMD
- RESP PATH
- RESP2.4 and FFTK
- Restart after press Finish in QwikMD simulation
- restart simulation with NAMD
- Restarting a simulation
- Restarting a simulation $ Langevin
- restarting calculations anytime within Equilibration and MD simulations steps in QwikMD
- Restrain a molecule in movie
- Restraining selected atoms with multimer
- Restraints on coarse grained model
- ResType Color
- results analysis by VMD.
- Resuming changes in MOLEFACTURE
- retaining HETAM and conect records in pdb files
- Retrieving an atom and its coordinates
- retrieving atom indexes from measure contacts
- Retrieving Cremer-Pople parameters
- retrieving the center of mass for each frame of trajectory
- Retrieving the Cremer-Pople parameters
- Return value of a vector
- Reusing the psf file
- Reverse Mapping of RBCG Model
- reverting coarse-grained system to all-atom system
- revised VMD tutorial
- RE: plot residues without hydrogen atoms
- RE: Plot the value of the current frame in the Progress Bar for elapsed Time
- RE: use gelato render with VMD 1.8.7 for movie
- REQ?= use gelato render with VMD 1.8.7 for movie
- RE hydrogen bond cutoff value
- RE: a script to count the frames in which some water molecules interact with selected protein atoms
- Re: display water
- RE: hydrogen bond cutoff value
- RE: proper enviroment for the VMD namdenergy plugin
- RE: removing water from dcd file
- RE: RE: proper enviroment for the VMD namdenergy plugin
- RE: select all residues in a molecule
- RE: visualize gromacs trajectory in vmd
- re:答复: c_top2psf.pl
- Rgarding the output for dx file of occupancy(VolMap)
- rgb to mpg
- RGB values...
- rgyr calculation problem
- rgyr from big DCD
- ribbon on different thickness
- ribbon rendering errors
- ribbon representation
- ribbon representation :: VRML
- ribbons representation for RNA in vmd 1.8.5
- right alignment for numbers in color bar
- ring-like structure formation with distance restraints
- rlwrap bug in Ubuntu
- rlwrap problem
- rlwrap problem on
- rlwrap/ffTK issues with vmd 1.9.2
- rlwrap: Command not found.
- rlwrap: Command not found. /usr/local/lib/vmd/vmd_LINUX: Command not found.
- rlwrap: No match.
- rms alignment in VMD
- rms and align strucs
- rms dumping in a file
- RMS fits
- rms fitting problem
- Rmsd
- RMSD (Re-send of James Cavenaugh's bounced mail)
- rmsd and angle between the two domains
- RMSD and PSF generation
- RMSD and RMSF of ligand Only
- RMSD between two structures without the same number of atoms
- RMSD calc
- RMSD calculation
- rmsd calculation and alignment
- rmsd calculation and plot
- rmsd calculation for RNA
- RMSD calculation/fit doesn't work?
- RMSD Calculator
- RMSD calculator extension
- rmsd computation in text mode with a reference pdb
- rmsd crashes vmd
- rmsd crashes vmd 1.3
- rmsd different from rmsd implemented in VMD
- RMSD error "Matrix: Warning: no convergence"
- rmsd fitting
- RMSD fitting for molecules adsorbed to surfaces
- RMSD for individual residue for a tetarmer
- RMSD for non-continous residues
- RMSD for non-pdb file.
- RMSD for specific residue
- rmsd from VMD
- RMSD heatmapper -plugin
- rmsd matrix
- RMSD of a protein shell, from the NAMD traj
- RMSD of different molecules
- RMSD of dihedrals
- RMSD of identical pdbs not zero
- RMSD of lipid molecules
- RMSD of not fitted region
- rmsd option in timeline
- RMSD or RMSF value
- rmsd per residue
- RMSD per residue of docked molecule
- RMSD per residue vs RMSF
- RMSD pluging error
- rmsd problem
- RMSD problem on 1.8.4a22 (Linux OpenGL)
- rmsd problem,script and version
- RMSD Question
- RMSD SCRIPT
- Rmsd script with arguments
- RMSD Tool failes with MOL ID > 999
- RMSD trajectory tool
- rmsd trajectory tool question
- RMSD trajectory tools
- RMSD vs RMSF
- rmsd with 2 different structures using serial numbers
- RMSD with protein ligand
- rmsd-fullthrottle.tcl problem
- RMSD-gaps
- rmsdtt
- rmsdtt 'batch mode'
- RMSDTT plugin
- rmsdtt, itrajcomp and other plugins open sourced in github
- rmsf
- RMSF ?
- RMSF and bigdcd
- rmsf calculation
- RMSF calculation question:
- RMSF calculation with reference structure update
- RMSF calculation: residue wise
- rmsf calculations
- RMSF measurement
- RMSF plugin to share
- rmsf to b-factor conversion
- RMSF Trajectory extraction script
- RMSF value of a group of atoms
- RMSF_Calculation_Error_Using script
- RNA
- RNA first residue
- rna pdb file
- RNA polymerase docking on DNA
- rna topology and parameters for rna
- rock around the clock?
- rod-like shapes
- Rodlike mixture
- Rolex replica is a ultimate gift
- Rosetta Academic Training Webinar
- Rosetta Academic Training Workshop
- Rotate a box with pcb
- rotate a molecule
- rotate a selection of a molecule and write rotated coordinates
- Rotate a specific residue and save the coordinates in VMD
- rotate atomic coordinates?
- rotate dihedral angle
- Rotate dx map
- Rotate exchanges y and z axes?
- Rotate molecular system without rotating objects added with the graphics command
- Rotatind a chain (some further Qs)
- Rotatind a chainn
- Rotating a molecule around its center of mass...
- Rotating a molecule to make it parallel to another bond
- Rotating a non-coordinate file
- rotating a representation
- Rotating and saving coordinates of a copy of molecule alongwith original molecule
- Rotating and translating molecules ..
- Rotating cube files
- Rotating dihedrals
- rotating ligand
- Rotating the current view
- rotating two superposed molecules
- Rotating user-defined graphics?
- Rotation about one axis
- rotation around phi/psi
- Rotation matrix translatin vector vmd
- Rotation of molecules
- Rotation of the color scale bar in VMD
- rotation to align
- RPM spec file
- RSCB assembly formatting change - chain names with hyphens and numbers not recognized in VMD
- RSMD of coarse grained molecules
- rst7 as input file bug
- RTX for raytracing
- RTX-accelerated VMD 1.9.4 test build for 64-bit Linux posted...
- Run a variable through VMD Tk/Tcl console .vmdrc file
- Run a variable through VMD Tk/Tcl console /// .vmdrc file
- run and close vmd with bash script?
- Run Python Scripts in VMD on Mac OS X
- Run time error on Max Impact
- run_vmd_tmp: Permission denied
- Running 64-bit Linux VMD in VMWare VM on Windows 8.1 64-bit Host Machine
- running a C code in VMD
- running a script
- Running a script using text mode
- Running a source script from a C shell
- Running a vmd tcl script in the background
- Running ABF to separate DNA strands
- Running ABF to seperate DNA strands
- Running atomselect made a seg fault
- running ca-dist.tcl
- Running Cionize1.0
- Running CUDA on a laptop
- Running equilibration MD simulation
- Running Hydrogen Bonding Analysis with Script
- running ILS under Windows 7
- Running IMD interactivelly under the shell
- running LAMMPS output via VMD
- Running Multiseq Operations in Text-Only Mode
- Running Namd in Window
- running namd2 on Mac PPC cluster
- Running out of memory due to multiple mol addfile's (?)
- running plugin from the command line
- Running ProcupinePlot script
- Running Python within VMD
- Running RMSF script on compute canada
- running simulation on dual core processor
- running TCL script
- Running TCL scripts (textmode) on a Server
- Running the ParseFEP Plugin from the Command Line
- running under Shell using VMD
- Running vmd
- Running VMD 1.9.4alpha on newer GPUs that require CUDA 11+ and OptiX 7+
- running vmd as pbs job
- Running VMD from the terminal on MacBook Pro
- running vmd in batch mode
- running vmd in parallel
- Running VMD in user folder on Windows (bug fix?)
- Running VMD on Blue Waters
- running vmd on computer node
- Running VMD on Mac OS X
- Running VTK from VMD's python
- Running without interface
- runsqm plugin required but not installed
- RuntimeError: tk.h version (8.4) doesn't match libtk.a version (8.5)
- Rx for VMD crashing PC?
- Rf. : calculate rmsd in a loop:feedback [sorry if you get it twice]
- s-s bond in vmd not visualized
- salt bridge
- salt bridge cutoff distance
- Salt bridges
- Salt brigde
- Salt-Bridge Calculation
- saltbr plugging problem: too many open files
- saltbr# vs. frames
- salvation of heavy water
- Same pdb file, different image
- same problem
- Same starting configuration gives two starting values of backbone RMSD
- Same starting configuration gives two values of backbone RMSD
- same view in VMD and Molscript
- SangbaeLee: question about pbc wrap
- SAS values for a residue
- sasa
- SASA -tcl script
- SASA Algorithm?
- SASA Algorithm??
- SASA and SESA
- SASA area
- sasa by residue
- SASA calculation
- SASA calculation (protein + small molecules)
- SASA calculation for a trajectory
- SASA calculation for sidechains of my peptide residues
- SASA calculation using periodic images?
- SASA calculation with periodic images
- SASA Cutoff Value for Residues on Protein Surface
- sasa function
- Sasa implentation/ algorithm VMD
- SASA measurements
- Sasa script in python returns "Runtime error"
- Satellite tobacco mosaic virus images making by VMD
- sausage nmr ensemble
- sausage view of NMR ensembles
- save
- Save "Visulaization State" from within Tk Console
- Save Atom Selection to DCD
- save config & RMSD not functioning
- Save contact map data in other formats besides postscript
- save contact map residue-residue distance plot
- Save coor coordinates as pdb
- save coordinate POSCAR
- save coordinates
- save coordinates after moving them.
- Save Coordinates for Multiple Loads
- Save coordinates from MD simulation
- Save Coordinates Question ...
- Save molecule in pdb format
- save NAMD plot as a picture
- Save pdb with original numbering
- Save position of entire molecule and draw it later
- save psf
- save selected residues
- Save specific atoms from multiple frame pdb
- Save State Fails
- Save state miss some parameters !
- save states with relative directory structure
- save the secondary structure and rmsd
- Save thousands... no one will know
- Save trr using command line
- save waters around ligand trajectory updated
- Save work in the middle of chirality correction
- save/load visualization for data file
- Save/restore display parameters
- save_state
- Save_state and Load_state
- saving a GMX trajectory using tcl script
- saving a PDB in a different order than it was loaded
- saving a tiff file
- saving bond-length information
- saving charges
- saving charges in the B column
- saving coordinates of expanded cell
- Saving coordinates that meet selection criteria for each frame
- saving dcd file different if by script or by interactive mode
- saving dcd with less frames
- Saving ionized.psf from add ions plug in of VMD
- saving macros
- Saving mol2 file
- Saving mutli-molecule structures in VMD (e.g., for building membranes)
- Saving of pdb-trajectory in NMR-like format
- saving trajectories from the command line
- Saving two molecules into one PDB file
- Saving updated trajectory coordinates of selected atoms
- Saving variable information
- saving velocities with VMD
- Saving visualization state coordinates
- Saving work in VMD--this seems ridiculously difficult!
- sball.h not found
- SBCG Bond/Angle Parameter Extraction Files
- SBCG membrane
- SBCG of molecules
- sbcg with multimers
- SC'15 Sci viz showcase deadline extension
- scale angstroms to pixels (or mm, inches, etc.)
- Scale the molecule
- scale trajectory coords
- scan interleaved stereo on Zalman M220W monitor
- Scan Torsions
- sched_setaffinity error message when using srun to give VMD only a portion of the cores on a node [SOLVED]
- School on Molecular Dynamics and Enhanced Sampling Methods @ Temple University July 6-10, 2015
- School on Molecular Dynamics with NAMD and LAMMPS in Philadelphia, August 18-22 2014
- scipt for loading multiple copies in psfgen
- Screen corruption
- screen size
- script
- Script commands that control the display of periodic images
- SCRIPT directory...
- script error
- Script for Angular Distribution Function?
- script for area per lipid
- script for atom collisions
- Script for automated selection
- Script for calculating energy of a water molecule
- Script for calculating hydrogen-bonding energy
- Script for contact Vs Freq
- Script for counting water molecules
- script for cutting box
- script for displaying multiple frames
- Script for Finding Point Group Symmetry of Molecule and Saving the Ideal coordinate
- script for generating stereo postscript images
- Script for Lipid Order Parameter
- script for mapping the electrostatic potential from APBS on surfaces
- script for multiple structure superimposition?
- script for plotting trajectories
- script for projection of c-alpha atom cordinates on xy plane
- Script for reading Gaussian 09 MD file?
- Script for recursive file execution
- script for size distribution
- script hangs when use full dcd file
- Script Modification to Print Phi and Psi Angles
- script no reading correct number of frames
- script problem
- script rotation of system with graphics
- Script runs slow afterwards
- script that reacts on movement of frameslider in vmd main
- Script to Build Cyclic Peptides
- script to calculate molecular surface area
- script to change representaiton
- script to draw lines between labelled atoms
- Script to generate PSF: ERROR, additional atoms
- Script to impose coordinates from separate file onto equivalent selection of atoms
- script to load dcds from Replica Exchange simulations by Temperature
- script to modify cysteines with spinlabel
- script to read dcd frame-at-a-time & write a selection
- Script to rendering ANISOU records in VMD
- script to resolve trajectory "jumps" on Desmond dynamic
- script to visualize NMR constrains?
- scriptable way to add hydrogens
- Scripting API: are arguments to representation types documented somewhere?
- scripting bond labeling
- Scripting problem with h-bond listing
- Scripting with volumes
- scripts CGTools
- scripts for binding free energy calculation using SMD and Jarzynski's equality
- scripts in windows version
- Scripts to color amino acids based on given properties
- scripts to generate initial boxes of solvents
- Scripts to unwrap PBC from REMD trajectory
- scrolling up in vmd console
- SDS molecules agglomeration.
- Search options within mailing list
- search path and naming conventions for custom TCL scripts
- searching for contact atomh
- Searching for Number of Resname
- Second Announcement: ‘Hands On’ Workshop on Computational Biophysics (Berkeley, CA, Aug 3-7, 2015)
- Secondary structure
- Secondary Structure along a trajectory
- Secondary structure analysis
- Secondary structure assignment
- secondary structure assingnment
- secondary structure calculation
- secondary structure calculation at certain frame
- secondary structure calculations
- Secondary Structure Color Definitions
- secondary structure colors in timeline plugin
- Secondary Structure Depiction
- Secondary Structure Disappears after Molecule Move
- Secondary structure elements in VMD
- secondary structure inconsistency
- Secondary Structure Issue
- secondary structure new cartoon presentation
- Secondary structure not being rendered for 1O82
- secondary structure of a protein containing non-canonical residues
- Secondary Structure of alkane polymers
- Secondary structure representation stays static
- secondary structure script
- Secondary Structure Stays at the last frame
- secondary structure update
- Secondary structure with Timeline
- secondary structure works on linux, it doesn't work on Mac in certain structures
- secondary structure's display - problem
- secondary_struct script
- Security problem?
- seeing ions
- Seeking assistance
- seeking suggestion in simulation analysis for pore lining residues in channel protein
- Segfault in VMD 1.9.4a38 in DrawMolItem::draw_volume_isosurface_points
- segfault using VMD 1.8.6 32-bit Linux and chromium 1.9
- segid & chain id
- segid and geometry script
- segid WT100 is longer than 4 characters allowed by psf format
- SEGMENT ID
- segment name limit with solvate and psfgen
- Segmentation error!
- Segmentation fault
- Segmentation fault (core dumped)
- Segmentation fault error only when executing command within script
- segmentation fault error when trying to add bonds to Si3N4 crystal in vmd
- Segmentation fault on linux Fedora 11
- segmentation fault on OSX El capitan
- Segmentation fault when trying to load GROMACS trajectories
- segmentation fault with NAMDenergy
- segname field in pdb files
- segv in vmd upon opening a file
- select a group of atoms/distance measurement
- Select a molecule with multiple indexes
- select all residues in a molecule
- select and save every X atom
- select atoms
- select atoms between molecules
- Select atoms on surface of sphere
- Select Atoms that are bonded to specific atom type
- Select atoms using coordinates
- select atoms within a sphere - atomselect
- Select atoms within certain distance of vertical symmetry axis
- select by residue
- select cylindrical slab
- select each element of array
- select grafted chains in nanoparticle
- Select non-redundant set using struture Qr not working
- Select Nucleic Acid sequence
- select only border of the water box
- Select phi, psi dihedrals with TopoTools
- Select Residues
- Select the residue which comprises the atom with index
- select two segment in structure
- Select waters inside cylinder
- select whole residues
- select within distance range
- Selected angles during build?
- selected atoms
- Selecting a laptop for VMD and NAMD
- Selecting a laptop for VMD and NAMD (was: CUDA cores seen by VMD on GT540M)
- selecting all atoms within a given coordinate range
- Selecting all residues based on z-axis coordinate in a protein
- Selecting AMBER ions Cl- and Na+ using VMD
- Selecting atom of given residue in namdenergy plugin
- Selecting Atomnumber
- selecting atoms
- Selecting atoms based on 'type' with LAMMPS + PSF
- Selecting atoms based on the charges
- Selecting atoms in the RMSD tool
- Selecting atoms of same type in a certain distance (between X and Y angstroms away)
- Selecting atoms that have real SASA greater than 0, Not using "Surface"
- Selecting Atoms within a Volume, Manipulating Volumetric Data
- Selecting based on parameters from another file
- Selecting basic residues in g(r) GUI Plugin
- Selecting by X-coordinate
- selecting complete residues within perticular distance.
- Selecting CUDA devices in VMD 1.8.7
- selecting every nth residue in a protein
- selecting first instance of a ligand from several in pdb file
- Selecting first three characters of a variable with tcl in VMD
- selecting frames from trajectory
- selecting from different molecules simultaneously
- Selecting multiple ranges
- Selecting one half of a residue based CG lipid bilayer
- selecting protein + water shell
- Selecting residues by number
- selecting residues in a heterodimer
- selecting residues within 5-10A of another molecule
- selecting ribose atoms?
- selecting set of residue
- Selecting some atoms and changing the color of them
- Selecting structure closest to average
- Selecting the "n" closest waters
- Selecting the N-closest Waters
- Selecting the sides of a benzene ring
- Selecting water molecules within 5 ang in a trajectory( generated by amber).
- selecting waters
- Selecting waters between two given distances from a particular point
- selection
- Selection "@myselection"
- Selection "within x of something" is not updated throughout DCD trajectory?
- Selection along line in 3D
- selection and coloring
- selection atoms depending on bonding, selection of 'new' molecules
- Selection basing on the number of hydrogen bonds
- Selection by Atom Number or Fragments
- selection by residue
- selection for polar hydrogens only
- selection in different pcb images
- Selection in VMD Graphical representation
- selection manager
- selection of 2 molecules
- selection of amino acids with certain distance each others
- Selection of atoms and bond specific to MD snapshot
- selection of atoms on INSIDE protein
- selection of atoms/residues across multiple molecules...
- Selection of lipids not in contact with polymer
- selection of molecules in dynamic region
- Selection of residues in a trajectory
- selection of sugars with VMD
- selection of water molecules around particular number of atoms
- Selection problem on TkCon
- selection question
- selection syntax
- Selection Text for two C atoms with a double bond
- Selection tool
- selection update
- Selection within VMD
- Selections based on "bonded to"
- Selections in periodic boxes
- Selective coloring question
- Self Assembled Monolayer
- Self-Assemble Monolayer
- self-coeeficient diffusion
- self-diffusion coefficient from RMSD
- Seminars Trainings
- send data on demand using IMD?
- sending arguments to tcl
- Separate graphical objects?
- Sequence Menu For Nucleic Acids
- Sequences and BLAST searching
- sequential multiple structures
- Sequentially numbering atom names in pdb file
- Server for structural models of the unfolded state of proteins
- Set "center" in script
- set $sel {x y z} not working?
- set a different beta field for each frame of trajectory
- Set constant length scale to molecules in boxes of different sizes
- Set minimum distance cutoff for dynamic bonds
- Set molecule ID by topo tools
- set non-zero box sizes for GAMESS output
- set tcl/tk variable from "get resname" command
- set view along an chosen axis
- setbonds
- setenv: Too many arguments
- Setting atom coordinates in VMD
- setting bonds so that they are saved in DMS format output
- setting coloring and drawing methods
- Setting colors
- Setting Default Colors in vmdrc
- Setting default viewing window location in XP
- setting different bond length for different atom pair
- setting different colors
- Setting graphical representations from the command line
- Setting modstyle volumeslice options via tk console
- Setting molecule ColorID to values greater than 32
- Setting number of water molecules for the given box dimension
- setting secondary structure
- Setting the speed of rotation
- setting the view in VMD
- setting unit cell dimensions
- setting up a 4k HD TV for passive stereoscopic 3d
- Setting up a Phantom Omni for use with VMD on CentOS 6
- Setting up a truncation cutoff fro volumetric data
- setting up POPS or POPG in VMD
- Setting up remote GPU
- setting up the grid for periodic coulomb volmap calc
- Setting user field for time varying parameters?
- settings for labels
- setup path to write
- Seventh European Workshop in Drug Design - Siena
- several cmds to read structure and trajectory files
- several coor files from dcd file
- Several molecules
- several questions,
- SGI O2 stereo problems
- SGI problem!
- shades of licorice representation
- Shadows in TachyonLOptiXInternal vs TachyonLOptiXInteractive
- SHAKE or RATTLE algorithm
- shake vs. rigidbonds
- SHAKE/namd
- Shannon entropy in MultiSeq?
- sharing atoms
- Sharp 3D stereo monitors
- shift the molecules via VMD
- shifting of ions from +z to -z in a single frame(1ps)
- shifting of the origin
- Shifting the Geometric Center of entire set of molecules to origin
- shifting the origin of the box
- Shortening a Simulation
- should commercial user pay for VMD
- Show a movie from one static structure to another in VMD?
- Show additional data
- show atom number in xyz file
- show hbonds
- Show tcl console selections in VMD graphical display
- show water around a residue for all the frames of the MD trajectory
- show_replicas.vmd can't find basesel
- showing all vmd output
- Showing and Calculating the amount of water molecules inside carbon nanotube
- Showing atom index in vmd
- Showing bonds created with"bond" command of LEaP
- showing bonds in .xyz files
- showing fixed number of frames as the animation
- Showing frame number on display?
- showing the backbone trace of a cyclic peptide
- Showing TkConsole on VMD Startup
- Showing wall potential
- showperiodic - not self?
- Shutter glasses on VMD
- shutter glasses with VMD
- Side-chain Dihedrals
- sidechain atomselection
- sidechain correlated motions
- silly rmsd script doesn' t work ...
- Silver nanoparticle with coating of protein.
- Simple format for animation
- Simple MDFF Tutorial - 1ake does not fit into map
- Simple one-liner?
- simple plugin
- Simple potential energy calculations in VMD
- simple question
- Simple Question regarding psf generation
- simple script question
- Simple TCL/Tk question
- Simplest file format that includes atom color?
- simulating proteins with missing resdiues
- simulation
- simulation box moves in VMD when read lammps trajectory
- simulation image question
- simulation in Nitrogen box
- Simulation the binding affinity between DNA or RNA with non-natural nucleic acid acid
- Simulations cutting out due to per-atom velocity
- Simulations with alpha methylated amino acids
- Sine Cosine
- single residue mutation
- Situs
- size for render
- Size of a protein
- size of box
- size of output graphics
- Size of POPC membrane
- skip frames in dcd file=> no effect?
- Skip frames in writing shorter trajectory
- skipping frames in hbonding script
- slice image
- Slice through molecule
- slicing
- Slow display with nVidia GeForce 9400GT and 3xx drivers on Linux
- Slow down the update speed in animation
- Slow file importing and movie generating at Linux system
- Slow file importing and movie generating in Linux system
- Slow mail deliver for next day or so...
- Slow tcl/tk script for trajectory analysis
- slow visualization using molecular representations with VMD 1.8.7 on mac
- slow vmd - it works now!!!
- Slower FPS in dual monitor systems?
- slower trajectory loading when CUDA support is enabled
- slowing down movie maker
- slowing the movie animation
- Small annoyance with tachion
- Small bugfix for NAMD Plot
- small figures
- Small molecules
- Small molecules alignment with VMD
- small query...
- SMD
- smd analysis
- SMD Force TCL Script in NAMD
- SMD question
- SMD specifying atom selection
- SMD: constant velocity or force pulling?
- SMD: constant velocity output analysis (Force and displacement plot from output file)
- SMD: Group of atoms COM fixed?
- smooth movie
- smoothed trajectory
- Smoothening labels in vmd
- Smoothing
- smoothing from the command line
- Smoothing PBC jumps across PBC
- smooting structure
- SMP, coord transform, cpu usage
- snapshot including molecules in a distance interval
- snapshot not compatible with -dispdev text?
- snapshots to pdb
- snow leopard CUDA and VMD 1.9
- Sodium within distance
- Software for molecular electrostatic calculations
- Software to create 3D PDF documents
- solid color clipping plane - render with "scratches"
- Solid Support Problem
- solute + solvent temperature?
- Solutions for stereo - is CRT technology dead?
- Solvate
- Solvate 1.1.1
- Solvate 1.2 problem option -ion
- solvate a molecule
- Solvate a Protein for Explicit Solvent MD
- Solvate and VMD on OS X
- solvate crashes
- solvate documentation.
- solvate error
- solvate fails to set coordinates for the first few residues of the first chain?
- solvate function
- solvate nonstandard patch error
- solvate numbering problems
- solvate option in vmd
- Solvate package
- Solvate plug-in
- Solvate Plug-In -b Boundary variable
- Solvate plugin
- Solvate Plugin Error - Reg
- Solvate Plugin: Why "Rotate to minimize volume" along 2 instead of 3 axes?
- solvate problem
- solvate protein in triclinic box
- solvate v1.3 bug
- Solvate with a define number of water molecule
- Solvate with LES (Locally Enhanced Sampling) pdb does not work
- Solvate-GUI Problem: Collapses Solvent to Origin
- Solvated outside the box
- Solvating a Protein in VMD using NON STANDARD SOLVENT
- solvating a water molecule
- solvating diferent regions in VMD
- Solvating hexagonal unit cell
- solvating lipid bilayers
- Solvating protein in water sucrose solution
- solvating protein, fixed residue
- Solvating with Nonaqueous Solvent
- Solvating with Pre-equilibration ethanol box
- Solvating with TIP4 or SPC
- solvation
- solvation and box size
- Solvation Box
- Solvation energies using implicit ligand sampling
- Solvation in mixed solvent
- Solvation in VMD using Non Standard Solvent System
- Solvation of a molecule
- Solvation using Charmm36 TIP3P
- SOLVED Fwd: Merge structures coordinate failure
- SOLVED with chimera-vmd
- SOLVED: Failure to run namd-cuda with gtx-470
- Solvent accessibility with sasa
- Solvent accessible area/Radii definition
- Solvent Accessible Surface
- solvent accessible surface area
- Solvent accessible surface area calculation
- Solvent accessible surface area change during MD run
- solvent mixture
- Solvent PDB and PSF Files
- solvent radius
- solvent_box_type
- solventplugin-Watermodels
- Some bugs and questions about the 1.9.4a29 version
- Some comments about stereo with nvidia cards & shutter glasses
- Some errors
- Some improvements for 1.8.2
- Some macOS code simplification
- Some newbie questions
- some parameters for TIP3P
- Some pdb file contains many frames : How Can I retrieve all in a frame...
- some principles for building a topology file?
- some questions about the RDF plugin
- Some useful scripts for people using CHARMM-36 glycans
- some visualization challenges
- some vmd mail list webpage cannot be accessed
- Some VMD questions
- Something about loading LAMMPS trace file
- something about simulation of small molecules in NAMD
- Sorry ... the test was because of .....
- sorry John .. I found them
- Sorry! Forgot to include the name of the molecule
- sorry...I got it!!!
- Sorting as an increasing function of the integers in suffices
- Source code for ringsize?
- Source Command
- source download
- sources
- Space between protein and simulaton cell boundaries
- Space distribution functions
- Spaceball and OSX
- Spaceball navigator - making movies
- SPACEBALLS
- SPACEBALLS .. in Europe ?
- spaceballs, etc.
- spacemice
- SpaceNavigator
- SpaceNavigator on Win7 64 bit
- SpaceNavigator test builds (last note before I go offline!)
- SpaceNavigator: How can I grab a molecule?
- spacial distribution function
- Spam from my email
- sparse volumetric file format
- Spatial (angular) distribution function
- Spatial Distributionb Functions
- SPC/E Water Model and RigidBonds
- SPC/E Water models
- specden - IR spectral density calculator plugin
- Special Christmas binary
- special instructions in psfgen for circular proteins?
- specify a rtf file when generating a psf file.
- Specify stride from command line
- specify the bonds between the atoms
- Specifying distances for bond cutoffs?
- specifying path of add on program
- spectrum simulation
- speed of movie
- speed of pbc join is slow
- speed prob
- Speeding up the VDW drawing method and Tachyon rendering process
- Sphere representaion with radius from pdb field "occupancy" or "temp. fac"
- Sphere size
- spikes in trajectory, problem with the alignment of frames
- split
- split multi frame pdb
- Splitting homotetramer subunits
- splitting pdb
- splitting segments
- Spring quality watches offer
- Spring script not working
- springs
- sqlite and vmd
- sqm not active in molefacture
- SScache performance; fast secondary structure assignment
- sscache with bigdcd
- SSD vs SSHD vs mechanical
- SSE from the protein sequence
- ssrecalc output for the whole trajectory
- SSrestraints
- Ssrestraints error
- ssrestraints errors
- ssrestraints for determining the secondary structure of large protein complex
- SSRestraints missing some beta sheets
- STAMP Multiseq
- Stand-alone VMD ?
- Start in VMD
- starting tkcon
- Starting v1.8.4a20 vs. v1.8.2a22
- Starting VMD at Command Line in OSX
- starting vmd in current working directory
- startup errors and variations of installation
- startup failure
- Startup position of OpenGL Display window and VMD console window
- Startup problem on Windows
- static text
- Stationary labels; delays ("wait") in scripts
- statistics in VMD
- status of psfgen support for CHARMM psf format
- Status of VR in VMD
- Steered Molecular Dynamics for Metal-organic frameworks
- Steinhardt order parameter and clustering algorithms
- Step 6 ffTK ligand calculation.
- stereo
- Stereo 3D by the Numbers
- Stereo 3D matters to me
- stereo anaglyph
- stereo anaglyph rendering
- stereo display on NVIDIA Quadro4 750 XGL
- stereo enabler
- stereo for XP and Linux
- stereo glasses and VMD
- stereo images for publication
- Stereo in linux/oxygen gvx1/xig driver
- Stereo mode on NVidia/Win2000
- stereo mode problems with vmd on IRIX 6.2
- stereo mode problems with vmd on IRIX6.2
- Stereo Mode User Defined
- Stereo on an SGI Octane2 using Crystal Eyes
- stereo on LCD display = pipe dream?
- stereo on linux: DTI monitors?
- Stereo on Linux: Eyes3D Premium + Nvidia
- Stereo on Linux?
- Stereo on Mac OX 10.3.3
- stereo on MacG5
- Stereo on MacG5 (single processor) for VMD, Chimera UCSF etc.
- stereo on MacG5 with Nvidia GeForce FX 5200
- Stereo on non supported G5
- Stereo on SGI Indigo2? - Linux?
- Stereo on SGI Octane 250HMz R10000, IRIX 6.5
- stereo postscript rendering
- stereo problem and VMD 1.8.2beta5
- stereo problem with vmd
- Stereo projection ?
- stereo projection, Mac
- Stereo quality and Save State Problems
- stereo view
- Stereo VMD
- Stereo VMD on Mac G5
- stereo with GForce video board
- stereo with vmd
- Stereo-3D in a Window: Not in MacOS X Tiger?!!
- Stereoglasses Linux]
- Stereoscopic rendering on Linux
- Stereoscopic visualization
- stl
- STL files
- STL format file - rendering
- STL rendering
- Stop using directory from previous session
- Storing multiple values in the user field
- strange behavior of render command
- Strange behaviour of MSMS
- strange bond
- Strange Bond Behavior Question
- Strange characters using writemol2 (vmd 1.8.5)
- strange coloring
- Strange GLSL rendering
- Strange MOL2 export
- strange output from measure cluster
- strange problems adding extra bonds to interactive simulations
- Strange results when visualizing .trr trajectory
- strange vdw representation behavior
- Strange VMD output
- Stray PME grid
- stream files and paratool
- Stride
- STRIDE analysis of beta-sheets in VMD
- stride binaries for windows XP OS
- STRIDE breaks after 100,000 protein atoms
- STRIDE doesnt recognize unusual protein residue
- STRIDE error
- STRIDE error: too many atoms in res
- stride failed
- STRIDE for a trajectory in text mode
- Stride for large structures
- STRIDE issues on Windows
- stride not showing all helix section after VMD crash
- Stride problems in XP....
- Stride update in every frame of a trajectory?
- stripping off oxygen groups
- Stripping out H20
- Stripping water from psf
- structural alignment
- Structural Biology Software Database updated...
- Structural Change of DNA
- Structure factor and Steinhardt order parameter
- structure file for big molecules
- Structure preparation via VMD
- Structure summary in output file
- structure superimposition
- Structure won't move after loading trajectory
- Study the hydrogen bond in VMD
- Stuttering in video with TachyonL-Optix
- stuttering movies with snapshot
- Stylish repl1ca w4tches from famous brands
- sub : considering waters with in 5A of solute
- Sub: making a trajectory with frames having different number of water molecules.
- submit VMD_SS script
- subopt/network analysis
- subscribe and questions
- substitute one residue without rebuilding the structure?
- substrate moving out of the box
- subtlety with PSFGEN - angle/dihedral regeneration
- Subtract structure to a trajectory
- Successful VMD win64 Compile
- sugar cluster analysis
- suggested citation versus pubmed entry
- suggested citation vs. pubmed entry
- Suggested fix for 'restore_reps' command
- Suggested graphic card :: LINUX
- suggested graphic card for Mac Pro
- suggested video card for linux
- Suggestion for measure cluster
- Suggestions on parameterizing a ligand to simulate in NAMD
- Suggestions on sending VMD bug reports/questions, etc...
- Suitable VMD version for OS X EI Capitan, Version 10.11.3
- Summing volumetric data within a sub-volume of a simulation cell
- sun server with graphics card
- Superimpose
- Superimpose Models
- Superimpose protein - plot water position - visualize water pathway
- Superimpose Protein Structure
- superimpose residues across several protein structures
- superimpose RNA backbones
- Superimpose Structures
- superimpose two proteins
- superimpose two proteins with different residue numbers
- superimposed structure
- superimposing
- Superimposing 2 dcd files
- superimposing frames
- superimposing groups of three atoms
- superimposing proteins based on a few residues
- superimposing proteins with non-similar coordinates
- Superimposing two frames
- Superimposing two molecules in VMD
- superimposing two structures and getting the coordinates
- Superimposition problem
- Superimposition: atomselect for reverse topology
- superposition
- superposition of molecules
- Superposition of Multiple Trajectory Timesteps
- superposition of two complex according to the same inhibitor
- Support Contours?
- support for gromacs topology files
- support for multi-frame XYZ files?
- Support for Retina displays?
- support for truncated octahedron
- Suppress "Info)" messages
- SURF
- SURF -rendering problem
- SURF and broken surface
- Surf drawing representation fails after negative circle radius
- SURF error
- surf fails with TIP4P water in VMD 1.9b1
- surf for mac
- Surf render crashing
- SURF_BIN and psfgen missing?
- Surface - upper limit for number of coordinates?
- Surface accesible area w/v1.8.3beta
- surface area
- Surface Area Calculation
- Surface calculation
- surface charge calculations
- surface from a generic atomic property
- surface in raster3d
- surface max_density error
- surface of an atomic property
- Surface plots
- surface potential on an externally loaded msms surface
- surface problems
- surface rendering across X11 windows
- Surface rendering crashes PC
- surface representation question
- surface residues of protein
- Surface slices
- Surface won't close
- Surfaces/Cavities
- Survey: 3 minutes of your time
- Suspected bug in BaseMolecule::default_mass
- SV: Authentication error VMD-xplor
- Sv: AutoPSF error with glycana (end of segment error)
- SV: average area per lipid
- Sv: MDFF Check -ccc in different VMD versions
- Sv: MDFF rotation
- Sv: problem with mol IDs when running script from same VMD session.
- Sv: Sv: MDFF rotation
- Sv: TachyonL-optix rendering question
- Sv: VMD on HPC
- Switching from MP2 in FFTK?
- switching off the location axes
- Sybyl trajectory
- Symmetry Tool Error (Draw): invalid command name "getargs" and expected integer but got ""
- Symposium on Accelerating Biology
- Synchronization of statements in tcl script
- Syntax and capabilities of writetrr
- syntax error in com file
- Syntax of the "within [distance] of" command
- sys.argv, python and VMD
- System requirement for MD 10ns
- Systematic VMD crash above critical size
- TAB key in vmd terminal
- Tachyon
- Tachyon 0.9.10 and recommende version of cuda?
- Tachyon and text rendering
- tachyon batch render in parallel
- tachyon configuration failed
- Tachyon dat file as input?
- Tachyon does not capture the dark colors!
- Tachyon does not render surfaces colored by EP
- Tachyon doesn't take into account ColorID
- Tachyon download is offline
- Tachyon freezing up
- Tachyon generation of dat files only
- Tachyon Internal Rendering
- Tachyon not rendering large scenes
- Tachyon Optix BUG vmd-1.9.2beta1
- Tachyon OptiX vs OSPRay for isosurface and clipping control
- Tachyon post-render commands under Win-XP
- Tachyon question
- Tachyon Render and MacOS segfault Issue
- Tachyon render and Tcl scripting
- Tachyon Render not working
- Tachyon render problem
- Tachyon renderer
- Tachyon Renderer and Multiple Representations
- Tachyon renderer memory error
- tachyon renderer syntax
- Tachyon Rendering
- tachyon rendering and background color
- tachyon rendering on black background figure
- Tachyon Rendering with a Surf Representation
- Tachyon sometimes suddenly freezes up when rendering epotential images
- Tachyon transparency and depth cueing
- Tachyon VMD and MPI
- Tachyon with DoF ignores FocalLength
- Tachyon-Optix failure when SSH X11
- Tachyon-OptiX Rendering User Defined Clipping Planes?
- Tachyon?
- TachyonL-OptiX
- TachyonL-OptiX not shown in renderer list
- TachyonL-Optix render command
- TachyonL-optix rendering question
- TachyonLOptiXInternal antialiasing
- tag heuer rep watch for you;
- Tag Heuer replicas better than originals
- Take a look at jaxtr!
- Take a look at the latest replica watches
- tc.h error while compiling vmd
- tc.h problem
- TCBG Live Computational Biophysics Workshop Lectures
- TCBG Workshop lecture videos
- Tcl
- Tcl 8.5.x in upcoming versions of VMD...
- TCL and Plugins
- tcl and vmd
- TCL atomselect bug
- TCL Callbacks
- tcl code atomselect problem in analysis
- TCL code for psf file
- tcl command "lremove" not working in VMD text mode
- tcl command to save structure to file?
- tcl command to write amber format files
- Tcl commands and X11
- Tcl commands on Mac
- TCL equivalent for ---> Mouse Pick Mode Center
- TCL for adding bonds?
- TCL For Loop Problem
- TCL force script
- Tcl foreach/for loop error
- tcl fscript or Removeing protein flucutation
- tcl logging and plugins
- tcl measure bond length script
- Tcl plugin development and debugging
- tcl plugins
- tcl procedure to set data
- tcl question
- TCl question: preventing STDOUT
- TCL Related Question
- tcl script
- Tcl script and plugin
- tcl script causes VMD crash...
- Tcl script error
- tcl script for averaging a parameter along length
- TCL script for creating multiple representations on the same molecule
- Tcl script for hydration shell of backbone carbonyl oxygen for whole trajectory.
- TCL Script for PCA?
- tcl script for vmd troubleshooting
- tcl script for vmd troubleshooting. .
- tcl script for writinging modified pdb co-ordinates
- tcl script memory problem - NOT in atomselect
- tcl script not executed when submitted using a slurm script
- tcl script problem using -dispdev text ..
- tcl script problem with "atomselect' combined with "measure fit ...order"
- TCL script to measure distance between two points in space
- tcl script to pull pdb file from tgz
- TCL script to track molecules moving within a specified region each time frame
- Tcl scripting
- Tcl scripting - Coloring residues by frame along trajectory
- tcl scripting for adding hydrogens to particular atoms in multiple pdb files
- Tcl Scripting Question
- TCL scripting question: how to make a list of atomselections persistent?
- Tcl scripting within NAMD configuration file
- Tcl Scripts Fails Unless Run in Tkconsole
- tcl scripts in parallel in VMD?
- Tcl startup error on 3X3 tiled display
- TCL strangeness
- TCL string operation
- tcl syntax problem
- tcl variable withing variable name
- TCL wrapper for linear algebra package in VMD
- tcl-reading files
- Tcl-wrapped "lightweight plugin" in C++
- tcl/python and readline not working
- Tcl/Tk misbehave after upgrading MacOS to Sonoma (14.0)
- TCL/VMD problem
- tcl8.6
- TCL: centering molecule into middle of display after translation
- tcl: wait for exec
- TclBC of an asymmetric system
- temp autocorrelation
- Temperature/Beta factor coloring
- template script for cavity volume
- Temporary Files for STRIDE Inaccessible on Windows 8
- test
- test - 0123456789abcdefghijklnmopqrstuvwxyz
- Test build of CHARMM PBEQ electrostatics map reader plugin
- Test builds of VMD 1.8.7 using Tcl/Tk 8.5.x...
- Test email
- Test Graphic card performance using VMD as benchmark
- Test release of VMD movie maker
- Test version of 1.8.4 posted for Situs users and others...
- Test version of VMD 1.8.3 for Linux on AMD x86_64 (Athlon64 / Opteron) available...
- Test version of VMD 1.8.4 for Linux/IA64 (SGI Prism, Altix, etc..)
- Test version of VMD for flaky graphics boards/drivers
- test versions of VMD 1.8.5 -DLPOLY
- test VMD mailist post
- Test VMD with CUDA support for Linux and MacOS X 10.5.2...
- testing vmd1.9.1
- Tethering, or restraining, part of a molecule during MD playback
- tetrahedral order parameter
- Tetrahedral representation
- Text command for isosurface
- Text Editor Got Me. . .
- Text in line with line
- Text mode data extraction without trajectory update
- text mode to calculate Internal Energy
- Text size in the VMD at high-resolutions
- text timer in vmd animations
- Text-line command for Graphics?
- Text-mode VMD
- Text/Labels on ray tracing external renderer
- Text/Labels on ray tracing externer render
- textures in VMD and rayshade scripts
- Thank you for you answere the folowing is the .vmdsensor file
- Thank you!
- thanks
- Thanks :)
- The "gopython" is wrong on the Lunux VMD1.9.1
- The affordable watch alternative
- The charge of glycine mutations in Mutator is not equal to zero
- the console window is automatically closed without any error messages
- the crystal structure of gold: questions about making the psf and about visualization in VMD
- the crystal structure of gold: questions about making the psf and about visualization in VMD;
- the crystal structure of gold: questions about making the psf and about visualization in VMD; update
- The discreet replica store
- The display windows is out of my screen
- The dreaded VMD / Mac OS 10.9 problems
- The err happens when movie maker Renderer POV-Ray
- the error of the plugin QMTool in read gaussian output file
- the exact definition of the keyword "radius" of the atom selection
- The Fe2+ parameter for NAMD simulation
- the IR spetra calculation module - from MD trajectory
- The maximal size which can be displayed by VMD?
- The new molecule file browser
- the number of hydrogen bonds per residue
- The only med1cation for we1ght l0ss that does work
- the patch between segments for multiple chains molecule.
- the patching problem in psfgen
- The pdb format of vmd
- the python library error in VMD when do IED
- The quality of movie made by VMD
- The radius of sphere representing an atom shown as vdw
- the representation of within 10 angstrom of a specific point
- The safest and most secure Online casino in the world.......
- the same old IED problem
- the same problem
- the script do not update the frame for secondary structure analysis
- the script do not update the frame number for secondary structure analysis
- the scripting interface
- The spheres become oval, getting close to the screen borders
- the usage of measure bond
- The usual problem with IED
- Theory of backmapping of CGTools
- Thickness of bilayer script
- Thinkpad X120e with Linux and VMD
- Thiol on gold
- third time..can someone help!!
- Three dcdplugin.c questions, and the DCD binary format.
- Tiled display setup
- Tilting helix in VMD
- time correlation function
- time dependent plot for stride output file
- time line
- Time series for SASA calculation:
- time step
- time-averaged RMSD per residue
- timeline - write canvas to ps
- Timeline / Sequence View not functional
- Timeline error
- Timeline plugin
- Timeline SASA
- Timeline viewer
- Timeline/H-Bond broken OS X
- Timer in VMD
- Timestep
- Tinker trajectory file
- tinkerxyz
- Tip to start VMD with external terminal
- TIP3 by TIP4
- TIP4P and CHARMM27
- TIP4P Water box
- TIP5P
- tips for an annoying aliasing task?
- TIS SARL promotions AVRIL N1
- Tk Console dsspcmbi file
- Tk console issues
- Tk console not responding to keystrokes
- TK console problem
- Tk script
- TK script problem
- Tk startup error in X forwarding
- Tk-console
- tkcon behavior in OS X / selection Q
- tkcon cursors not working
- TkCon History
- Tkcon on at startup
- TkCon problem
- tkcon problem with my vmd
- tkCon window - how to make font bigger?
- TkCon, an alternative VMD console...
- TkConsol
- tkconsole and intel macs
- TkConsole functions
- TkConsole not working
- tkinter load problem in VMD
- TLS handshake failed
- TMD in NAMD: cannot reach target
- TNG Plugin
- to block the information appearing during the run
- to change color of Sn atom
- to create simply a box of water molecules.
- To create Tetramer
- To delete some atoms via VMD
- To display only certain regions of the .dx map in VMD
- To find the residues on each side of the protein
- to get angle from matrix of rotation around an axis
- to get SURFACE CHARGE DISTRIBUTION of protein
- to load multiple trajectory files
- to load multiple trajectory files/append dcd to a PSF file?
- To many bonds error.
- to set VMDFORCECPUCOUNT
- To the developers: Get current zoom value (scale)
- To the developers: TCL implementation of autofit zoom
- to use tcl script in command line
- too large an area/lipid in POPE bilayers using membrane plugin
- too many bonds
- Too many nested evaluations
- top2psf
- top2psf - bridging_waters.tcl script
- top2psf script
- top2psf.tcl
- top_all22_prot.inp & par_all22_prot.inp
- Topo file
- topo guessatom
- topo tool guess bond algorithm
- Topo tools error in dihedral guess
- Topo Tools for triclinic system
- Topo tools: can't use non-numeric string as operand of "+"
- topo writelammpsdata: size limitation?
- topology and parameter files ?
- topology and parameter files for H2 and O2
- Topology file
- topology file for metal in the protein
- topology file for polystyrene
- topology file in /linux/src/vmd-1.8.6/plugins/noarch/tcl/readcharmmtop1.0/top_all27_prot_lipid_na.inp
- topology files L/D form
- Topology for carbon nanotube compatible to Amber
- Topology for drugs to do MD after docking
- topotool lammps data_file viewing
- topotools
- Topotools "guessangles" not assigning angles
- Topotools - limit to size of system it can be used for?
- Topotools - silicon (110) creation
- topotools addbond and retypeimpropers commands
- TopoTools and box information in LAMMPS data
- topotools and Partial charges
- Topotools guessing angle and bond topology from CONNECT info in PDB files
- topotools in place of patching
- topotools lammps style sphere - write molecules
- Topotools not changing psf
- Topotools plugin: guessimpropers?
- topotools question
- topotools question regarding ordering of bonds, angles, etc in output.
- topotools readlammpsdata redefining xyz coordinates?
- topotools readvarxyz
- topotools writelammps data
- topotools {.top} for Gromacs {.tpr} generation
- topotools/topogromacs
- Topotools1.0
- Topotools: Lammps data file for protein
- topotools: write a particular selection into a lammps data file
- torsion angle
- Torsional Angles
- torsions = NaN ?
- Total charge from *.psf alone
- Total charge query?
- Total Dipole Moment
- Total H-bond occupancy analysis
- Total list of Tcl features
- total number of donors and acceptors
- Total volume of ligand calculation in vmd
- TP2 Phosphotyrosine Patch Issue
- TR : MolID error using fftk with VMD 1.94a49 on windows 10
- TR:
- TR: VMD atomselect with cartesian reference
- trace cartoon etc displaying incompletely after alignment
- Trace Frame in "Draw Multiple Frames"-Representations
- trace P atoms in RNA
- trace the distance between center of mass of one certain residue and the other
- trace to newcartoon inconsistent display problem
- Tracing distances among atoms in a MD simulation
- Tracing on color by properties
- Tracing VMD variables
- Track H-bonds at a site in a trajectory
- tracker coordinate calibration
- Tracking atoms automatically
- Tracking bond length changes in a simulation
- Tracking devices and VMD
- Tracking system configuration
- Tracking system configuration???
- traj not visualized but pdb is visualized
- trajector@VMD
- trajectory
- trajectory analysis
- Trajectory analysis without loading all frames
- trajectory animation usign PBC
- trajectory conversion: dcd to trr to xtc
- trajectory file format
- trajectory file with xyz
- Trajectory Files
- Trajectory from multiple .gro files
- trajectory from separate frames
- trajectory generation using gaussian cube files
- trajectory loading
- trajectory movie
- trajectory of water within 5 A of protein
- trajectory path script
- Trajectory smoothing
- Trajectory Smoothing and length of hydrogen bonds
- Trajectory Smoothing Window Zize with implicit solvent
- trajectory smoothing with periodic images in VMD
- trajectory sort by RMSD or other
- Trajectory title
- trajectory to xyz file.
- trajectory/movie
- trajectory2
- trajectory_path
- trajectory_path.tcl queries
- trans routine
- Transform pdb files in psf files using VMD
- Transform structure to
- transformation matrix
- Translate
- translating a molecule
- Translating an atom along a specific direction and saving the pdb files
- Translating protein along one coordinate
- Translation Script
- translation/transformation
- translations with fixed and unfixed molecules
- Translocate molecule within a box
- transoffset command
- transparency
- Transparency rendering
- Transparency rendering by Tachyon
- Transparency settings
- transparent background
- transparent background in vmd
- Transparent graphics
- Transparent image render problem after vmd 1.9 version
- transparent material: set different opacity
- transparent option
- transparent or translucent backgrond for images
- Transparent QuickSurf
- Trasperent images
- travelling...
- Triclinic boxes in VMD using the LAMMPS file format
- trig functions in vmd
- trio and osX
- trio program
- triple bond parametrization
- Tripos mol2 file in VMD
- Trouble building VMD 1.8.7 on Mac OS X
- Trouble compiling from source - Mac OS X
- trouble compiling/setting up VMD
- Trouble in installing VMD
- Trouble installing VMD
- Trouble installing VMD on LINUX machine
- Trouble installing VMD on LINUX machine SOLVED
- Trouble launching VMD 1.9.2 from the dock in Mac OS X el capitan
- Trouble launching VMD in Apple M1
- trouble loading dcd files
- Trouble Recognizing Peptide Sequence
- Trouble rendering tranparent atoms with Tachyon
- trouble saving the state of two proteins
- Trouble updating frames in script
- trouble with autopsf
- trouble with measure hbonds
- trouble with multiseq
- trouble with running vmd after installation , machine gets hung
- Trouble with tcl script (puts command)
- Trouble with the mergepdbs.tcl script
- Trouble with visual representations while loading a dcd.
- troubles in setting pbc on m1 mac version
- troubles with openGL
- Troubles with VMD 1.9.2 recognizing TclTk 8.6
- trr generated by catdcd
- truncated atom types after merge
- truncated atom types with fftk v.1.93
- truncated atom types with fftk v.1.93 - Resolved
- Truncated octahedron Box
- truncated octahedron box in namd
- truncated octahedron box in namd (fwd)
- Truncated Octahedron for VMD and NAMD simulation
- truncated octahedron from AMBER
- Trying to Build a Membrane w/conical pore out of PET (polyethylene terephthalate)
- trying to combine closewater.tcl with bigdcd.tcl error frame 3 out of range for molecule 0
- Trying to get Crystal Eyes to work on VMD with Twin View confirguation
- Trying to get Crystal Eyes to work on VMD with Twin View confirguation...Fixed myself
- Trying to get VMD to run locally while logged into a remote machine
- Trying to Use AutoPSF on Hundreds of pdb Files
- TR: Plot a time line in the movie made with VMD
- Tube representation of alpha carbons
- tubes
- Turn off initial VMD animation and "menu tkcon on" problem
- turn off the 'are you sure you want to quit' sound
- Turn off the autobond feature in VMD
- turning Info output off in vmd console?
- Turning Label Info output off in vmd console
- turning on the tcl/tk console in .vmdrc
- turns, using Stride
- tutorial
- tutorial 2
- tutorial on inorganic builder
- Two (small) VMD 1.2b1 bugs
- two coloring method
- Two different type of color set for potential map of overlapped molecules
- two molecules
- two Molecules in one pdb and psf
- Two open positions related to molecular visualization developments
- Two postdoctoral positions available at the computational core of the Pittsburgh Center for HIV Protein Interactions External
- Two Proteins Question
- Two questions regarding VMD 1.9.3 Windows NetCDF plugin
- Two questions: MacOS X and Raster3D output
- Two questions: reordering molecule IDs and deleting frames with TCL commands
- two references
- two references- I got them, thank you!
- TXT program editor
- Typing Au(111) surface
- Typo in my previous e-mail subject. It's: "VMD" very slow on a 8400M GS laptop....
- Ubiquitin - patch?
- Ubuntu launcher and WM_CLASS
- ugly font in linux/xubuntu-13.10
- UHBD-grids
- Ultra-violet environment simulation in NAMD
- Umbrella Sampling in PLUMED + NAMD
- Umbrella sampling windows
- Umbrella sampling windows run
- Unable to access config file
- unable to access vmd through ssh x11 forward using mobaxterm
- unable to animate alanine.dcd
- Unable to build a symmetric (m=0) zigzag BN nanotube in VMD
- Unable to compile plugins on MACOSXX86
- Unable to compile plugins on MACOSXX86)
- Unable to create OpenGL window for vmd starting
- unable to create OpenGL window.
- Unable to create psf
- Unable to create PSF file
- Unable to Delete Macro QwikMD Error
- Unable to find bond parameters for NOH P4 (ATOMS 292 294)
- Unable to find Stride output file: /usr/tmp/...
- Unable to fit dihedral to QM target data in FFTK
- Unable to generate surface
- unable to install VMD on OSX
- Unable to install vmdICE plugin in VMD
- Unable to ionize a solvated structure using autoionization
- Unable to load
- unable to load .xtc files on VMD 1.8.7
- unable to load Amber trajectories to visualize-Coordinate I/O rate 0 frames/sec, 0 MB/sec, 32.4 sec -Please help
- unable to load cartoon represention of my peptide
- Unable to load molecule
- Unable to open TkConsole, Possible bug!
- unable to open VMD as normal
- Unable to open VMD on Mac
- uNABLE TO OPEN VMD ON WINDOWS 2K
- Unable to patch RNA to obtain DNA
- Unable to re-install vmd
- Unable to read corrupted binary DCD trajectory file
- Unable to reload a saved state in VMD 1.9.3
- Unable to remove sudden RMSD jumps between two segments
- Unable to rename material
- Unable to render electrostatic potential cube files with most non-HF densities
- Unable to Render modified positions of labels with Tachyon
- Unable to run VMD in graphical mode/ ubuntu 8.10 / Open GL problem
- Unable to see VDW , CPK representations
- Unable to set coordinates in pdb - AutoPSF
- Unable to use plots with QwikMD
- Unable to use short loabels
- Unable to use VMD1.9.1 binary (no CUDA) on Mac OSX 10.9.3
- Unable to useTachyon-Optix renderer when VMD is installed in Windows Subsystem for Linux (WSL)
- unable to view .pdb file
- Unable to view protein as cartoon or trace or tube
- Unable to visualize my polymer chains generated using RIS theory using VMD properly
- Unable to visualize the solid isosurfaces
- Unaligned access to ...
- Uncertainty estimate of g(r) using measure gofr function
- Uncharged terminal ends?
- uncompress files in tcl script
- Understand a script
- understanding NOE restraints
- Understanding the positional difference of all atoms between two frames
- Understanding topology files?
- undrawing lines in multiplot?
- Unequal atoms size
- Unexpected End-of-file?
- Unexpected results after loop added to the script
- Uniform Distribution of drug molecules in water
- uninitialized coordinates
- uninstall of previous version
- Uninstalling VMD
- unique opportunity - 20% discount for the EuroQSAR 2006
- unique residue names
- UNIT CELL
- Unit cell coordinates and radial distribution functions
- Unit cell for clay material
- unit cell information
- Unit cell information in python and IMD interface code
- Unit Cell PDB of Copper
- unit cell volume is zero
- Unit for RMSD cut-off in clustering tool
- unit of force using Haptic during IMD
- Unit of RMSF calculated by measure
- Units for Measure Dipole
- units of "measure dipole"
- Units of bond distance in vmd
- Units of Isovalue Slider in Isovalue Drawing Method
- Units of moments of inertia
- units on the volmap tool
- Units reported by VMD SASA ???
- Units used by Volmap Tool
- unix -vmd
- Unknown atom type CG205 with CGenFF by psfgen
- Unknown atom type while running psfgen
- unknown residue type
- Unknown residue type ZN
- Unknown variable modifier. while running vmd
- unloading volumetric data
- unparameterized residue
- Unprotonating GLU, ASP
- unreadable prmtop's and reference memory error?
- Unrecognized Chains in VMD for tetrameric protein
- unusual bond between the cysteine and arginine residue during the simulation
- unusual bond warning during psf building
- unusual bonds
- Unusual coordinates in PDB files exracted from dcd file
- unusual residue type problem..
- Unusual visualisations
- unwap/wrap failure in recomposing splitted system from periodic cells
- Unwrap for diffusion phenomena?
- Unwrap issue, Completely Different Chart Than Expected, Trajectory Compromised
- Unwrap visualization
- unwrapping 'wrapping' DCd files
- Unwrapping a trajectory with H2O
- unwrapping long trajectories
- up arrow for previous commands
- up arrow for previous commands (with the command attached)
- Upcoming NAMD Workshop
- Update atom labels each frame
- UPDATE OCCUPANCY
- update of atom selection at each step for trajectories
- Update on email sent last week
- Update Plugin
- update sec. structure in animation, sscache
- Update selection every frame command
- update selection every frame not working
- update selection used in "animate write"
- Update structure on-the-fly
- Updated "Hull" source code for delaunay script...
- Updated APBS plugin for VMD available for testing...
- Updated Bonding Connectivity each frame
- Updated plugins for VMD 1.8.1...
- Updated plugins for VMD 1.8.2
- Updated plugins for VMD 1.8.x
- Updated RTX-accelerated VMD 1.9.4 test build for 64-bit Linux posted...
- Updated VMD 1.9.2. Gromacs plugins posted for download
- Updated VMD Script Library
- Updated VMD-L archive page...
- Updates
- Updates in rmsdtt (Excel) and cluster (Xcluster) plugins
- Updating atom names/types in xyz-files
- Updating atomselection from frame to frame
- Updating atomselections in every frame and write to a pdb
- updating cartoon representation in trajectory
- Updating color_scale_bar_new.tcl
- Updating colors
- Updating colors at each trajectory step
- Updating COLOURS for atoms
- updating DCD frames in python
- updating display of atoms in contact
- Updating selections....
- Upgrade CUDA5.5 driver and vmd doesn't work anymore
- upgrading vmd's nvidia component
- ureybradley and impropers in ffTK
- Urgent---documents uploaded for you
- usage for the pacth 5DP (there is no information in the tutorial)
- usage for the patch 5DP (there is no information in the tutorial)
- Usage of the Orient package
- Use "Metal complexes/FeS-clusters" in VMD paratool
- Use AMBER files in CG-builder
- use animatepdbs.tcl to include APBS potential maps
- use configure.options
- use gelato render with VMD 1.8.7 for movie
- Use Movie Maker Plugin in Script
- Use of coarse grain plugin
- Use of CUDA with AMD GPU
- Use of parmtool plugin
- Use of RBCG to convert multiple frames from atomistic trajectory to Coarse grained
- use of spring tcl script
- Use of topotools
- use phantom with VMD
- use variable in atomselect
- Use variable in atomselect command
- Use VMD Graphics Primitives to Construct Stilized Cyclodextrins
- Use VMD Primitives to Construct Stilized Cyclodextrins
- Use VMD to produce images and videos to sell
- Use VMDOSPRAYMPI env variable and OSPray render method
- use volmap tool for probability density map
- User colors and povray
- User defined charges with PMEpot
- User defined command order
- user field
- user field memory demand
- User-defined coloring
- user-defined movie
- Userani.tcl script jumps frame after no play
- Using "membrane package" with different lipid molecules
- Using "orient" - Vectors reversing direction?
- using atomselect to write a set of atoms and not some residue whose residue numbers are in a list
- Using Automatic PSF Builder for Novel Residues
- Using bigdcd
- Using bigdcd and .tcl scripts
- Using bigdcd for an already written script
- Using BigDCD on Simulation Files Located on Mapped Network Drive
- Using BigDCD to wrap, unwrap and animate a long MD trajectory
- Using Bigdcd with RMSD Trajectory tool in VMD
- using cionize
- Using class UIVR
- Using clustering tool
- using cvs under Windows XP
- Using Dipole Moment Watcher with Gromacs configurations and trajectories
- using fit_angle.py over a trajectory
- using gimp for converting jpg, tga ... images to high quality eps files
- using Grace instead of Multiplot
- USING IED for essential dynamics in VMD
- using IED interface in VMD 1.8.7 windows
- using inorganic builder for amorphous silica
- Using LES with solvated, ionized protein
- Using Magellan Spacemouse with VMD
- using martini forcefields for DNA in NAMD
- Using MDFF 0.6 in VMD 1.9.4a
- Using Measure SASA in NAMD Simulation
- using min. image. conven. for transport properties
- Using Molefacture plugin in batch mode
- Using more than 9 atom types for coloring method and visualizing half of a structure
- Using multiple CPUS
- Using Multiseq for aligning a structure and a sequence
- Using NAMD Energy Plugin
- using NAMD with SPC water
- Using namdEnergy from an external python script
- Using namdenergy in batch mode to compute dihedral energies
- using namdenergy with amber prmtop file
- Using namdenergy without cutoffs?
- Using namdplot from the command line
- using namdstats.tcl
- using paratool
- Using pbc wrap with bigdcd
- Using psfgen with long atom names (How to prepare PDB file?)
- Using Python
- Using python interpreter in VMD
- Using python interpreter with VMD
- Using QwikMD with latest CHARMM36 force fields
- Using radial coloring method from user-defined center
- Using regular expressions on tcl atomselection
- Using RMSD for individual residues script (as seen in the NAMD tutorial) and bigdcd
- Using RMSD in colvar
- Using RMSD without loading all structures?
- Using RMSDTT in a script and aligning volume data
- using scrpt making movies in Windows
- Using Solvate Script
- Using Tcl functions in a C-plugin
- using tcl variables in representation gui
- Using the -updatesel parameter in namdenergy
- using the beta and occupancy columns as state variables
- Using the chirality and cispeptide plugins with "vmd -dispdev text"
- using the colvar module in VMD within a tcl loop through trajectory frames
- Using the MovieMaker
- Using threads in VMD's tcl
- Using Tools (grab, tug, etc)
- Using topotools with no VMD display
- using topotools: error in identifying atoms and dihedrals
- Using tprplugin
- using trackers
- Using two color scales in one scene
- Using variables inside Atomselect
- using VMD 1.8.7 on a Mac
- Using VMD for non-atomic simulations?
- Using VMD from a Chrome Web Browser
- Using VMD in Java application
- Using VMD just to plot some coordinates from a mathematical/geometrical model
- Using VMD on Redhat 7.0
- using vmd to apply symmetry operators part 2
- using vmd to apply symmetry transformations
- Using VMD to edit dynamics output
- Using VMD to overlay structures
- Using VMD to overlay structures (Mikolai Fajer)
- Using VMD to plot coordination number of solvated ion v/s time
- using vmd to view gromacs trajectory
- Using VMD with Chromium
- using VMD with LAMMPS
- Using VMD/NAMD to construct Cyclodextrins using Chamm topologies
- Using VMDPLUGIN_register_tcl
- Using VolMap for center of mass
- Using VolMap tool for charge density visualization
- using vslab in vmd
- Using writelammpsdata in 1.9.4
- using xtc file to generate pdb's
- util
- Valbond and NAMD
- Valence bond force field in NAMD
- Van der Waal's radii of atoms
- van der Waals volume
- variable atom count in XYZ multiframe trajectory
- variable atom number and dynamic bonds
- variable atoms visualization
- Variable number of atoms in xyz file
- Variable number of atoms in XYZ file format
- Variable number of steps in run command?
- variable particle size
- variables from VMD to psfgen
- VASP CHGCAR
- VASP crystal structure visualisation
- VASP plugins
- vasp POSCAR plugin
- VDM and two SpaceNavigators
- vdna 2.0 for VMD
- VDW radii
- VDW radii in input files
- VDW-radius-and-Interstitial-Space
- veclength
- vecsub command
- VECSUB function
- vecsub: two vectors don't have the same size
- vector
- Vector corresponding to the long axis
- vector flips
- vector passing through a point and parallel to z axis, TCL code
- vector summation
- vectors box in .trr file
- Vega ZZ DCD trajectory crashes VMD
- veldcd file
- velocities in trr
- velocity array accessible for any loaded molecule?
- velocity arrow and calculation
- Velocity Auto Correlation
- velocity calculations
- velocity IO with psfgen?
- velocity or force of water molecules
- velocity profile
- Velocity storing in VMD
- version 1.8.7 for amd64 and cg tools
- version 1.9.3
- very high vdw and electrostatic energy for bulk urea molecules
- very large pdb file
- Very peculiar problem with bigdcd if not running interactively (post moved over from namd forum)
- Vibration
- Vibrational spectra script
- vicinity analysis
- video 360 vmd
- Video Card
- Video card compatibility
- Video card driver
- Video Card for VMD, 2D or 3D
- Video card query
- video memory and volumetric data
- video streaming
- VideoMach/personable Label/label by ResName
- videostream command?
- view only parts of the loaded volumetric data
- View sidechains in VMD
- view temperature, forces and velocities
- ViewChangerRender (VCR) plug-in
- Viewing "other" data as a trajectory plays
- viewing .brix maps
- Viewing Amber6 trajectory with VMD 1.8.1
- viewing an embryo
- Viewing an SDF file in VMD
- viewing bond between two hydrogens on a water molecule
- Viewing changing beta along a trajectory
- viewing CHARMM trajectory
- viewing dcd files
- Viewing gromacs .xtc trajectory 'Error reading timestep, file does not match format'
- viewing heteroatoms?
- viewing insight trajectories with vmd
- Viewing Isosurface from g_spatial on VMD
- Viewing MD trajectories
- Viewing molden grid files
- viewing MOs
- viewing pca output
- Viewing post script images
- Viewing SASA points through draw command-problem
- Viewing single lipid layer in vmd
- Viewing System of Molecules where coordinates are in text file.
- viewing trajectory
- Viewing Van der Waals bonds of a protein ligand in complex inquiry
- Viewing with VMD bonds set by the "bond" command
- ViewMaster and rendering
- viewMaster plugin
- viewpoint
- Virtual Reality and VMD
- Viscosity calculation
- Visual Help
- Visual of a box and/or scale of distance in VMD graphics
- Visualisation of CG bonds
- visualisation of molecular orbitals in VMD
- Visualisation of VTF trajectories using VMD under Windows ?
- visualisation problem with bonds and PBC
- Visualise variable atoms
- visualising bonds in vmd
- Visualising Helix Dipole Moment
- Visualising Molecular Vibrations
- visualising protein dynamics
- visualising the bonds which indicated by "connect" order in pdb files
- visualising unit cell "plus a little more"
- Visualization and reading problems
- visualization code
- Visualization in 3-D using NVIDIA quaddro
- visualization of a normal mode analysis
- Visualization of coarse grained molecule with coarse_grain.tcl
- visualization of DX map
- visualization of el. potential
- visualization of electroly solvation shells
- Visualization of FEP simulation
- visualization of ghemical figure
- visualization of HOMO&LUMO in vmd
- Visualization of new bonds created in LAMMPS simulation
- visualization problem
- Visualization problem of random Polyethylene chains in VMD.
- Visualization problem with aromatic bromo atom?
- Visualization Question
- Visualization State Issue With Secondary Structure
- Visualize a lammpstrij file
- Visualize a SMILES string
- visualize gromacs trajectory in vmd
- VISUALIZE HYDROGEN BOND BETWEEN PROTEIN AND LIGAND
- Visualize intersection of overlapping spheres?
- Visualize temperature
- visualize trajectories from lammps parallel results
- visualizing a simple polymer chain via VMD
- visualizing an atomselect
- Visualizing an infinite carbon nanotube
- Visualizing and counting broken bonds in VMD
- visualizing APBS output
- visualizing biological molecule?
- visualizing bonds in lammps output reaxff
- visualizing CCP4 maps in VMD
- visualizing certain sanpshots on top of each other
- visualizing charge density in vmd
- visualizing charges
- visualizing charmm trajectories?
- Visualizing coarse grained particles in VMD
- Visualizing CURVES output
- Visualizing Delphi output
- visualizing Delphi output (electrostatic potential)
- visualizing Delphi output (electrostatic potential)]
- visualizing disulphide bonds
- Visualizing DNA Damage
- visualizing dynamic charge
- Visualizing elastic network proteins
- Visualizing forces from .forcedcd files?
- Visualizing H-bonds between two segnames or chains
- Visualizing History file from DL_POLY
- visualizing janus particles in VMD
- visualizing MDFF results with explicit solvent
- Visualizing Molecule-Molecule RDFs instead of atom-atom
- visualizing multiframe trajectory simultaneously with multimolecule
- Visualizing multiple molecules
- visualizing NMR constrains
- Visualizing phonon displacement patterns from axsf format forces?
- Visualizing Salt Bridges
- Visualizing segmentation/labeling without python dependency
- visualizing small molecule in a trajectory file .trr and .gro using VMD
- Visualizing Timeline (tml) data w/o having to load trajectories
- Visualizing Trajectory file: .pdb or .xyz
- Visualizing trajectory with changing atoms
- visualizing trr file
- visualizing trr files
- Visualizing two different data sets in the isosurface mode
- visualizing unrealistic bonds
- Visualizing Vibrational Modes
- Visualizing volume slice from PME electrostatics
- Visualizing volumetric data only for the small portion of a system
- Visualizing volumetric data with Situs and VMD
- Visulizing subunits
- vizualization of modes
- Vizualization Problem while opening DX file
- Vlad has Tagged you! :)
- vmd
- VMD & FC 4.0
- VMD & NAMD
- VMD & NAMD atoms naming convention?
- VMD & OpenGL GLX Extension
- VMD & PoV files
- vmd & python
- VMD 'guesses' no. of frames?
- VMD (and NAMD) fail to read simple AMBER prmtop file (and it's not the SCEE and SCNB flags)
- VMD + linux (64) + Flock of Birds
- VMD + MSMS + WinNT
- VMD - ATI video card
- VMD - cannot download
- VMD - Measure water flow
- vmd - rendering
- VMD - unable to create OpenGL
- Vmd -dispdev text under OS X
- VMD / Eye3D stereo works on Mac G4...
- vmd / python / f10
- vmd / python / f10]
- VMD / Tachyon Questions
- VMD /w >2GB RAM on Windows XP, and Windows XP x64 64-bit version...
- VMD 1.2 port to MkLinux/LinuxPPC
- VMD 1.2b2 is now available!!!
- VMD 1.2b2 Linux & MSMS ...
- VMD 1.2b3 is available!
- VMD 1.3 Alpha 2 release...
- VMD 1.3 Beta 1 release ...
- VMD 1.3 Beta 2 release ...
- VMD 1.3 Release
- VMD 1.4 Alpha 1 (Windows) is available.
- VMD 1.4 Alpha 2 (Windows) is available.
- VMD 1.4 Alpha 3 (Windows+Unix) is available.
- VMD 1.4 Alpha 4 (Windows) is available.
- VMD 1.4 Alpha 5 (Windows+Unix) is available.
- VMD 1.4 Released (long)
- VMD 1.5 is available!
- VMD 1.5a1 is available...
- VMD 1.5a2 is available...
- VMD 1.5b1 is available!
- VMD 1.6.1 IRIX6_64 startup script fix
- VMD 1.6a4 core dumps.
- VMD 1.7 AIX and MacOS X distributions updated...
- VMD 1.7.1
- VMD 1.7.1 in CAVE?
- VMD 1.7.1 on HPUX
- VMD 1.7.1 on HPUX in text mode
- VMD 1.7.1 pre-alpha, volume visualization, new stereo modes, etc.
- VMD 1.8 alpha 10, publically available for testing....
- VMD 1.8 alpha 16 MacOSX depends on xterm
- VMD 1.8 alpha 16, publically available ...
- VMD 1.8 alpha 16, publically available for testing....
- VMD 1.8 alpha 21 available for testing!
- VMD 1.8 alpha 29 available for testing!
- VMD 1.8 alpha 29 available for testing!]
- VMD 1.8 beta 2 available for testing!
- VMD 1.8 beta 6 Unix binaries available...
- vmd 1.8 Linux mesa on RedHat
- VMD 1.8 on Windows2000 to crash when executing simple scripts
- VMD 1.8 problems with AMBER parm and crd file
- vmd 1.8.1
- VMD 1.8.1 beta 2 available for testing....
- VMD 1.8.1 beta 4 posted...
- VMD 1.8.1 beta 5 posted for testing...
- VMD 1.8.1 beta 6 posted...
- VMD 1.8.1 beta 7 posted..
- VMD 1.8.1 beta 8 posted...
- VMD 1.8.1 MacOSX running very slow on new G4 1 GHz Powerbook
- Vmd 1.8.1 or 1.8.2 on Linux not starting text interpreter
- vmd 1.8.2 - slow on linux
- VMD 1.8.2 and 1.8.3 fail on MacOS X after upgrade to 10.3.8
- VMD 1.8.2 on MacOS 10.3
- vmd 1.8.2b3 (September 16, 2003) on freebsd
- VMD 1.8.3 beta 1 available for testing/feedback
- vmd 1.8.3 mac OS-X dlpoly history file
- vmd 1.8.3 on my mac
- vmd 1.8.3 on OS X 10.2.8 (Jaguar) libmx.A.dylib
- VMD 1.8.3 works ok for 64-bit windows, but not VMD 1.8.5
- vmd 1.8.3a7 no longer works after installing NVIDIA dr iver x86_64 -1.0-6106
- vmd 1.8.3a7 no longer works after installing NVIDIA driver x86_64 -1.0-6106
- VMD 1.8.4 beta 11 test version available
- VMD 1.8.4 beta 6 posted on the web...
- VMD 1.8.4 beta 7 posted for testers...
- VMD 1.8.4 hangs on AMD64
- vmd 1.8.4 on Fedora Core 5
- VMD 1.8.4 support for AMBER binary trajectory files
- VMD 1.8.4 test builds, 32-bit and 64-bit AIX5...
- VMD 1.8.4b12 test version, Wiki / BioCoRE public area
- vmd 1.8.5
- VMD 1.8.5 beta 7 test version posted
- VMD 1.8.5 installed. The graphics flashed and disappeared after installation.
- VMD 1.8.5 on Mac OSX Panther
- VMD 1.8.5 plugin update 1 posted...
- VMD 1.8.5 startup
- vmd 1.8.6 doesn't run on Fedora Core 7 EMT64
- VMD 1.8.6 for UBUNTU 8.04LTS
- VMD 1.8.6 GLSL problem
- VMD 1.8.6 Not Responding!
- vmd 1.8.6 on MacOS X, with python support, anyone?
- VMD 1.8.6 test versions available, feedback requested...
- VMD 1.8.6, XTC format on Mac OS X 10.5.1
- VMD 1.8.6b binaries for win32?
- vmd 1.8.7 - console window fullscreen
- vmd 1.8.7 - problems loading vmd state file
- VMD 1.8.7 alpha 62 posted for all mainstream platforms...
- VMD 1.8.7 amd64 python libs?
- VMD 1.8.7 and lammpsplugin.so error
- VMD 1.8.7 and NVIDIA 256.35 driver problems (CUDA issue?)
- VMD 1.8.7 beta 1 posted for download...
- VMD 1.8.7 beta 2 posted for download
- VMD 1.8.7 beta 3 posted for download...
- VMD 1.8.7 Beta 5 -- Possible bug when typing in the VMD menu boxes.
- VMD 1.8.7 beta 5 posted for download
- VMD 1.8.7 beta5 probs with NVIDIA Quadro FX3450/4000 graphic card
- VMD 1.8.7 build with VRPN 7.23
- VMD 1.8.7 CUDA on Mac OS X 10.6.1
- vmd 1.8.7 getting the terminal free
- VMD 1.8.7 hangs on launch
- VMD 1.8.7 installation problem
- vmd 1.8.7 not spawn new console: feature,bug, or just different?
- vmd 1.8.7 on Intel 64 bit: segmentation fault
- vmd 1.8.7 on Intel 64 bit: segmentation fault (however: 1.8.6 works!)
- vmd 1.8.7 on Intel 64 bit: segmentation fault"
- VMD 1.8.7 terminal window
- VMD 1.8.7b3 and desktop effects on Fedora 10
- VMD 1.8.7beta1 doesn't close OpenGL window
- vmd 1.8.7CUDA/1.8.7/1.8.6 can not start
- vmd 1.8.b does not start up
- vmd 1.8a21
- VMD 1.8a28 bundle for MacOS X 10.2 available...
- VMD 1.9 beta 1 posted for download...
- VMD 1.9 beta 2 posted for download...
- VMD 1.9 beta 3 posted for download...
- VMD 1.9 builds on MACOSXX86_64
- VMD 1.9 installation on linux
- vmd 1.9 sur doesn't work
- VMD 1.9.1 and OS X 10.10 - display freezes
- VMD 1.9.1 becomes unresponsive
- vmd 1.9.1 beta - quicksurf rendering artifacts
- VMD 1.9.1 beta 1 (RMSDTT bug)
- VMD 1.9.1 beta 1 posted for download...
- VMD 1.9.1 beta 2 to be posted tonight...
- vmd 1.9.1 Centos
- VMD 1.9.1 core dumps (CentOS-5 x86_64) nvidia drivers: 304.64/4x GTX 680
- VMD 1.9.1 for 64-bit Windows
- VMD 1.9.1 installation
- VMD 1.9.1 namdenergy plugin problem with GPU acceleration
- VMD 1.9.1 on Macosx Snow Leopard: items greyed out
- VMD 1.9.1 python interpreter
- VMD 1.9.1 src // GCC 4.7.0 - Error compiling plugins directory
- VMD 1.9.2 32 bit Linux
- VMD 1.9.2 b1 OptiX Tachyon Error
- VMD 1.9.2 beta 1 posted for download...
- VMD 1.9.2 beta 2 posted for download...
- VMD 1.9.2 Crashes (CUDA,VRPN)
- VMD 1.9.2 crashing at startup in Mac OS X El Capitan
- VMD 1.9.2 released!
- vmd 1.9.2a11macx86_64 on OSX 10.8
- VMD 1.9.2a39_64 segmentation fault MacOS
- VMD 1.9.3
- vmd 1.9.3 A
- VMD 1.9.3 alpha
- VMD 1.9.3 beta 1 posted for download...
- VMD 1.9.3 beta 4 posted for download...
- vmd 1.9.3 beta release-regd
- VMD 1.9.3 compiled from source does not work
- VMD 1.9.3 crashes during loading GROMACS trr trajectory in linux.
- VMD 1.9.3 GLSL rendering not available on Linux cluster Install
- VMD 1.9.3 Linux installation
- VMD 1.9.3 omnidirectional rendering
- VMD 1.9.3 on 64-bit macOS
- VMD 1.9.3 Only Loads 2 Plugins
- VMD 1.9.3 released!
- vmd 1.9.3 won't open in mac after catalina update this morning
- vmd 1.9.4
- VMD 1.9.4 (RTRT) with python3 and numpy on Ubuntu
- VMD 1.9.4 a48 fails to build from source
- VMD 1.9.4 alpha 43 test builds posted...
- VMD 1.9.4 alpha 8 posted for download...
- VMD 1.9.4 as a Python Module
- VMD 1.9.4 crash on MacOS
- VMD 1.9.4 crashes after running the "Merge Structures" plugin (with psfgen 2.0)
- VMD 1.9.4 for Windows?
- VMD 1.9.4 Linux
- VMD 1.9.4 NAMDEnergy plugin query
- VMD 1.9.4 won't open .crd files
- VMD 1.9.4.a53 crashes on windows 11
- VMD 1.9.4a31 segmentation fault on OpenSUSE 15.1
- VMD 1.9.4a38 build for macOS Catalina
- VMD 1.9.4a42 test builds posted...
- VMD 1.9.4a43 Rev 6 for MacOS X Catalina
- VMD 1.9.4a50 64-bit Windows test build posted
- VMD 1.9.4a50 test versions for MacOS Big Sur -- both x86 and ARM64 (M1)
- VMD 1.9.4a53 on Windows 11 crashing frequently
- VMD 1.9.4a57 on Linux ?
- VMD 2.0 Issue
- VMD 2.0 Segmentation Fault on Ubuntu 24.04 and Containers
- VMD 3D movies rendering
- VMD 3D stereo hardware
- VMD 64-bit Windows OSPRay Initialization Error Possible Fix
- VMD : Force Field Toolkit : Help
- VMD aborts when setting up MD simulation
- VMD access using XWIN32 or X-Deep
- VMD acts too slow
- VMD Align command
- VMD align to principal axis
- VMD alpha builds
- VMD always open from home folder in Mac
- VMD analysis using NAMD plot
- VMD and 3D visualization problems with Nvidia Quadro 4000
- VMD and 3Dfx Glide
- vmd and amber
- VMD and Amber coordinates
- VMD and BigSur
- vmd and catdcd
- VMD and Centos 6
- VMD and CHARMm format
- VMD and chromium
- vmd and color
- VMD and CPMD
- VMD and cuda 7.5
- VMD and Cyclotides...
- VMD and doubleprecision trajectories
- VMD and FreeVR
- VMD and GRASP Qu.II
- vmd and hull
- VMD and IED for Tiger?
- VMD and IED on Windows XP
- VMD and Intel X3100 GPU
- VMD and Interactive Essential Dynamics (IED)
- vmd and k3b
- VMD and Kinect
- vmd and Konqueror web browser under Suse 9?
- VMD and latest XQuartz update
- VMD and Mandrake Linux 9.1
- VMD and MDFF: ssrestraints package error message under Windows
- VMD and Monte Carlo
- vmd and msms for mac
- VMD and NAMD survey invitations coming to your inbox...
- VMD and named pipes
- VMD and NetCDF under Windows Vista 32bit
- vmd and proxy settings
- VMD and R
- VMD and Remote X-Servers
- VMD and rendering packages
- VMD and Situs
- VMD and Spacenavigator in OSX
- VMD and Trackers
- VMD and VRPN (7.33) connection - LINUX
- VMD and windows
- VMD and X forwarding to MacOS 10.5.7
- vmd and xmgrace
- VMD and XP
- vmd and yosemite
- VMD animating spindensity
- VMD Animation example doesn't work...
- VMD APBS Plugin Issues
- VMD as a python module
- VMD as background job on multiprocessor machine doesn't work?
- VMD as command line interface
- VMD at Siggraph next week...
- vmd ATI card
- VMD atom NUMER problem
- VMD atomselect
- VMD autopsfgen and Mg2+
- VMD beta3 windows installer
- VMD BFEE namdbin error
- VMD Bug ?
- vmd bug in ubuntu 9.10
- vmd calculating wrong number of frames in xtc file using molinfo numframes ?
- VMD called from python hangs on Windows
- VMD camera feature request: zoom and tilt
- VMD can't display new PDB secondary structure properly ( pyMol, jMol can). .
- VMD can't display new PDB secondary structure properly (pyMol, jMol can)
- vmd can't display Pt-Cl bond
- VMD can't read 1OXY
- vmd can't start up after being installed in linux
- vmd cannot be launched after successful installation
- vmd cannot display cartoon/ribbon representations of part of a protein in gro/trr format
- VMD cannot display electron density map
- vmd cannot display part of the protein in gromacs gro/trr file format
- vmd cause linux system freezes randomly
- VMD causing xorg crash
- vmd change atom type when saving lammpstrj
- VMD charmm paramters files: par_all36m_prot.prm
- vmd checking socket in tcl
- VMD closes upon loading a gromacs xtc file
- VMD clustering of conformations
- Vmd coefficient tool
- VMD color by user
- VMD Command
- vmd command delay
- VMD command line Windows98
- vmd command not found
- VMD compatibility with graphics card
- VMD Compatible with Windows with 64-bit OS?
- VMD compilation 64 bits
- VMD Compilation with LEPTON & C++11 to support COLVARS "customFunction"
- VMD Compilation with LEPTON & C++11 to support COLVARS "customFunction" WORKS now --- FLTK issue now
- VMD compile on windows (where is windows.h?)
- VMD Composite Extension/swrast Error on Centos 6.6
- vmd console linux shell mode
- vmd console problem
- Vmd console window colors in Irix 6.5
- VMD contact map - long helical structure
- VMD Contact map through time
- vmd core dump on IRIX
- VMD crasch
- VMD Crash
- vmd crash at start
- VMD crash due to large volume of .dcd file
- VMD crash on athlon64 with licorice representation
- VMD crash on large DCD files.
- VMD crash on PDB read
- VMD crash when opening
- VMD Crash with Ubuntu 12.04 LTS and NVidia 310.44 driver.
- VMD crashed due to: vmd_LINUXAMD64: indirect_vertex_array.c:659: emit_DrawArrays_old: Assertion `elements_per_request >= count' failed
- VMD crashed during reading the trajectory file
- vmd crashes
- vmd crashes after startup...
- vmd crashes during gromacs trr loading
- VMD crashes during the execution of a computational intensive TCL script
- VMD crashes in VolumeSlice representation
- VMD crashes KDE at startup
- VMD crashes on displaying NewRibbons or New Cartoon
- VMD crashes on Macbook with Intel Graphics
- VMD crashes on opening large cube files
- vmd crashes on startup
- VMD Crashes on Windows Vista when trying to load more than 5000 steps
- vmd crashes upon load of pdb
- VMD crashes when drag-and-dropping files in Windows
- VMD crashes when files are drag-and-dropped - any resolution?
- VMD crashes with FX440 and RH Entreprise 4.0
- VMD crashes with malloc error
- VMD crashes.
- VMD crashing on OS X El Capitan 64 bit
- VMD crashing when loading prmtop files
- VMD cuda
- vmd customization
- VMD CVS and build procedure changes...
- vmd cvs compilation with CUDA fails
- VMD CVS Request for Richard Cook
- VMD disables audio?
- VMD Display Error - Detected X11 'Composite' extension
- VMD display freezing
- vmd display problem
- VMD display problems
- VMD display problems.
- VMD display residues
- VMD display size and position
- vmd display water molecules error
- VMD DMS plugin
- VMD does not display bonds
- VMD does not exit after running closest.tcl script in combination with bigdcd
- vmd does not read pqr file correct, vmd parse chain information incorrect.
- VMD does not run on MacOS X 10.4 Tiger
- vmd does not run on the VNC client
- vmd does not start
- VMD does not start on Mac OS 10.3.8
- VMD does not start on Mac OS 10.3.8 (problem was solved)
- VMD Does not start on my MacBook
- VMD doesn't handle AMBER Restart files correct
- VMD download page down
- vmd draw command for text
- vmd draw material affects previous drawings
- VMD drawing
- VMD dumps core after OSPRay render completes
- VMD email support next two weeks
- VMD Energy analysis
- VMD error
- VMD error - molefacture
- VMD Error in Mac OSX
- VMD error loading dcd files
- vmd error message
- vmd error message in Fedora 11
- VMD error messages on intel iMac
- vmd error related to opengl
- vmd error related to tcl.h
- vmd error saying "no atom selection"
- vmd error time too large/small to represent
- vmd error xMDFF
- VMD Error!
- VMD Error! (fwd)
- VMD Error: vecsub: two vectors don't have the same size
- vmd exit tcl callback
- VMD exits immediately after starting on Windows xp
- VMD failed after FFTW installation
- VMD Failing to Recognize Path
- VMD fails to run
- VMD fails to start/stalls/crashes on AMD workstation with Quadro FX 3800
- VMD failure of RMSD Traj Tool, time index on each rendered frame, and crash
- VMD ffTK plugin: Error termination occurred at Gaussian input files generated for water interaction
- VMD ffTK: The determination of a correct spin multiplicity value
- vmd files between linux and windows
- VMD files to SDF
- vmd first installation
- VMD for ALTIX
- VMD for Catalina
- VMD for Linux
- VMD for Mac stopped working after updating to Catalina
- vmd for mac: range in isosurface representation
- VMD for MacBook Pro -- NetCDF
- VMD for macOS - easy install with new code-signed versions
- VMD for macOS -- easy install with new code-signed versions
- VMD for macOS Big Sur
- VMD for PPC64 SLES9?
- VMD for rectifying oxygen atoms ?
- VMD for SGI Altix/Prism, IBM AIX5, etc..
- VMD for Win32 API based PC CAVE
- VMD for windows 64-bit
- VMD for Windows 64bits
- VMD for Windows with VRPN option
- VMD forks to background; can I disable this?
- vmd freezes for certain files on MacOs 10.10.4
- VMD freezes KDE under Linux Redhat 7.1
- VMD freezing up when left alone
- VMD from remote workstation
- VMD from remote workstation (followup: crash with Intel drivers)
- VMD graphical representations: a few bugs
- VMD GUI
- VMD H-bond Plugin error
- vmd hangs at creating CUDA pool
- VMD hangs on startup (MacOSX 10.14)
- VMD hangs up with a file size ~ 1.2 GB ?
- Vmd Hardware Requirements long MD visual/analysis
- VMD has problem displaying glsl rendermode
- vmd hbond Calculation
- VMD Hbond criterion vs. other software
- VMD HBonds plugin
- VMD HBonds Plugin Produce Duplicate Results
- VMD help - select model
- VMD high DPI
- VMD HOLE Result
- VMD Images and Movies Tutorial: Working With Trajectories
- VMD images/movies of SARS-CoV-2 work in NYT...
- VMD in "Big DCD mode"
- vmd in Debian
- vmd in fedora core 5
- VMD in hubzero
- VMD in Linux, assigning a variable using awk
- VMD in OS X Yosemite version 10.1.1.5
- vmd in ubuntu on mac mini
- vmd in windows 8 (64bite)
- vmd information
- VMD input devices for USB-only Macs ?
- VMD Install
- vmd install on ubuntu 15.04 -- no display
- VMD Install Question
- VMD installation
- VMD Installation Help
- vmd installation in linux
- vmd installation in rehdat7.3
- VMD installation on Mac
- VMD installation on Mac OSx 11 Bug Sur
- vmd installation on the server
- vmd installation problem
- VMD Installation problem on Ubuntu 8.10
- vmd installation with Mesa installed in a non-standard location
- VMD installation: Windows OpenGL
- VMD intallation
- vmd intel compiler prebuild for 64 bit
- VMD interface and TkConsole font
- vmd invalid connection error when launched
- VMD junt won't work on Windows
- vmd keeps crashing
- vmd killed - memory problems?
- VMD killed despite using $sel delete and unset sel
- VMD lammps plugin: a possible bug
- VMD languaje information
- VMD license
- vmd ligand fluctuation analysis
- VMD limitation for loading large trajectory file
- vmd linking error
- vmd Linux 64
- vmd linux binary / native build on netbsd
- vmd load molecule problem
- vmd MacOSX using dispdev
- vmd mailing list
- vmd maxAtom
- VMD meets Andy Warhol/Campbell's Soup on display wall
- VMD MEMBPLUGIN : MEMBRANE THICKNESS
- VMD membrane builder
- VMD mismatch between CUDA runtime and GPU driver
- VMD mods for the CAVE
- VMD Molden plugin crashes
- Vmd molecule rotation and translation
- vmd moveby command inside loop
- VMD movie
- VMD movie error
- VMD movie from XYZ coordinate if file has two type of atoms
- VMD movie from XYZ coordinate if file has two type of atoms]
- VMD Movie Generator problem with "Image smoothing" set
- vmd movie maker
- VMD Movie Plugin for MacOS
- vmd movie ppmtompeg
- VMD moviemaker
- vmd movies in powerpoint
- vmd mpg movies not working in office 2000
- VMD MPI error
- vmd mpi parallel rendering with SLURM
- vmd multiple residue
- VMD Multiprocessing
- VMD Mutate to nonstandard amino acid residue
- VMD Mutator, which side chain rotamer?
- vmd nearclip setting different from that used in povray render
- VMD needs your vote.
- VMD NetCDF plugin on POWER9 CPUs (like ORNL Summit)
- VMD never finishes reading vis. state file, stalls and hoggs CPU
- VMD newbie question
- VMD NMWiz plugin
- vmd not able to generate new cartoon representation
- VMD not displaying Gromacs TRR format traj
- VMD not displaying represenations by line
- VMD not loading in Suse 11.1
- VMD not reading plain mdcrd trajectories
- VMD not starting after nvidia update
- vmd not starting up on Fedora core 3 linux
- vmd not starting up on Fedora core 3 linux , InsightII to blame
- vmd not starting up on Fedora core 3 linux , nVidia quadro 980 XGL, nVidia 6629 driver
- VMD not working anymore
- VMD not working on MacOS X 10.6.7
- vmd not working on remote server
- VMD not working with a Matrox Graphic Card
- VMD not working with Yosemite
- VMD now uses Tcl 7.6
- VMD object exported to Pymol
- VMD on a DEC?
- VMD on a WINDOWS 7 64-bit computer
- VMD on AIX --- successful build, failed execution
- VMD on Blue Waters
- VMD on Catalina
- vmd on core 2 duo
- VMD on Cray/CNL
- VMD on Debian Linux Urgent
- vmd on fedora
- Vmd on Fedora 9
- VMD on HPC
- VMD on Intel core i3 + Ubuntu
- VMD on laptop with ATI Radeon 3650
- VMD on Linux Fedora Core 2
- VMD on Linux RH9 with ATI's fglrx-4.3.0-3.14.6 1280x1024@100Hz dumping core ... any helpful advice :>?
- VMD on Linux Suse
- VMD on LINUX with CAVELib
- vmd on mac 9.1
- VMD on Mac OS Catalina (10.15 beta): Bad CPU type in executable
- VMD on Mac OS X, converter problem
- VMD on MacOSX 10.6 Snow Leopard: fast
- Vmd on MACOSX awkward msg at startup and error when running Ubq simulation
- vmd on Microsoft 2000 and Phantom
- Vmd on Monterey
- VMD on multi-projector digital planetarium dome
- VMD on NetBSD
- vmd on opteron
- VMD on Playstation 3
- vmd on ppc (G4)
- vmd on raspberry pi
- vmd on redhat6.2 and elsa gladiac
- VMD on redhat9
- VMD on Sequoia
- VMD on Solaris 2.x doesn't compile
- VMD on Suse 11.1 w/ NVIDIA dies.
- vmd on Ubuntu: tcl howto
- vmd on windows
- VMD on Windows 11
- VMD on Windows64
- VMD on XFree86 4.0 /w hardware acceleration...
- VMD only read 58 frames from XYZ file
- VMD open GL Display problem
- Vmd Opengl display do not show anything
- VMD openGL over ssh from a server with NVIDIA
- VMD ORCA 6 Update
- VMD OrcaPlugin Bug
- vmd paratool - getting GAUSSIAN charges
- VMD patch, console w/ built-in command editing
- VMD PDB to LEAP Readable PDB
- VMD performance bottlenecks
- VMD performance on Mac OSX, 10.2.8
- VMD performance on Vista
- VMD Periodic cells
- VMD plugin error src/webpdbplugin.c
- VMD plugin for abinit
- VMD plugin for Desmond
- VMD Plugin update for Windows problem
- VMD plugin: filenames supposed to have dot in it?!?!
- VMD plugin: Membrane: POPG
- vmd plugins / external programs
- VMD plugins error
- VMD plugins not available without gui
- VMD plus Phantom
- vmd port on FreeBSD
- VMD print out
- Vmd Problem
- Vmd problem in display of surface in Md movie ( Gromacs trajectory)
- vmd problem: session ended
- VMD problems on Linux Cinnamon Mint (Sarah)
- VMD process Windows
- VMD Programmer position available at TCBG / University of Illinois
- VMD Programmer Position available at TCBG/UIUC
- VMD Prompt
- VMD Psfgen issue
- VMD psfgen lonepair handling
- vmd psfgen problem with CHARMM
- vmd python availability on other platforms
- VMD Python binaries available for testing
- VMD python3 version
- VMD QMTool
- VMD Quantum Chemistry Visualization
- VMD QUESTION( Movie making )
- VMD Question: How to build a polymer in VMD?
- vmd questions
- VMD questions about animating residue distance lines and contact maps
- VMD quit unexpectedly on Mac
- VMD quits
- VMD read wrong charges if the atom type is longer than 5 characters in PSF file
- VMD reads vasp files with variable cells incorrectly
- VMD receives Segmentation Fault After NVIDIA Driver Update
- VMD removing slightly misplaced atoms
- VMD rendering colors
- VMD Representation
- VMD Representation (addition)
- vmd residue position
- VMD RMSD Plot Selection
- VMD RTX hardware accelerated ray tracing update!
- VMD running on Mac OS Big Sur
- VMD running slow
- VMD runs on the T3E!
- vmd runs slowly on vmware
- VMD runtime error
- VMD scene information
- VMD script
- vmd script library
- VMD Script Library pages updated...
- vmd script running from command line
- VMD script variable is
- VMD script: save coordinates problem
- VMD scripting
- VMD scripting (Thank you)
- VMD scripting questions
- VMD scripting: Perform PBCwrap+fitframes on several dcd files
- VMD secondary structure Stride bug
- VMD Seg fault on startup in Fedora 26
- VMD Segfault Fedora 27
- VMD segmentation fault (core dumped)
- VMD selection options and local density maps
- VMD selection: change atom size across various frames
- VMD shows bad structure with 'line' type
- VMD shows there's a H-BOND between Carbon and Hydrogen?
- vmd shuts itself down
- VMD Slices
- VMD slowdown on MacOS X 10.3.4
- VMD slows down at multiple windows
- vmd smooth trajectory distorted molecule
- vmd snapshots without display
- vmd solvate
- VMD Spaceball and Magellan/SpaceMouse support for Windows...
- vmd startup sequence
- vmd stereo
- VMD stereo (Win/SGI) and graphics accelerators...
- VMD stereo for NVidia Quadro 5000?
- VMD Stereo not work
- VMD stereo NVIDIA 3D vision with Composite
- VMD stereo with Radeon 8500 and crystal eyes on Xig Xserver
- VMD stops furing loading of DCD trajectory
- VMD STRIDE not functional after operating system upgrade
- VMD support -- Out of town until Sept. 9th
- VMD Tachyon Render fails with new material
- VMD Tcl Getting first index from residue number
- VMD TCL Script to save last frame of a trajectory using bash+tcl scripts
- vmd tcl script writing issue
- Vmd tcl versions
- VMD testers for ATI+Linux automatic driver workaround...
- VMD text
- VMD Text Mode
- VMD text mode commands
- VMD text mode on MAC OS
- VMD text mode version
- VMD text mode/unwrap
- vmd that works with ati/linux
- VMD Timeline Plug-in Selection in Hydrogen Bonds Calculations
- VMD Tk Console Columns
- VMD TkConsole command
- VMD TkConsole font size
- VMD too slow on my Linux system
- Vmd too slow on Suse10.x
- vmd topotools 1.2
- vmd topotools 1.2 error
- VMD TopoTools plugin is looking for a new maintainer
- VMD Tracking VRPN
- VMD trajectory/structure/coordinate format
- VMD Tricky selection of protein water bridge (2 bridge waters)
- VMD tutorial for working with solid crystals
- VMD Tutorial Help
- vmd ubuntu crash
- Vmd uninstallation and reinstallation
- VMD Update Questions
- VMD User Survey coming to your email inbox soon....
- VMD users that have Oculus DK2 headsets?
- VMD using CygWin?
- VMD version
- vmd version 1.8
- VMD version 1.8.7 (LINUX OpenGL, CUDA) on UBUNTU 9.10
- vmd version for solaris 8
- VMD very slow on DELL workstation with Quadro M4000
- VMD video-projection in 3D
- vmd visualization and CMAP run problem
- vmd visualization problems with circular proteins
- VMD Visualizers and AutoPSF unusable on Mac BigSur and VMD1.9.4a55
- Vmd visualizing occupancy maps
- VMD Volmap ILS Error
- VMD Volmap ILS Error & Orient Function
- Vmd vs QUANTA
- VMD vs. BALLview?
- VMD w/ amber parm7, segnames/chains etc...
- VMD warning: ignoring out of range atom #*** with id ***
- VMD warnings
- VMD water box vs. CHARMM
- VMD water protein anlysis
- VMD web/email outage most of Tuesday March 23rd
- VMD web/email outage today Tuesday 4/6
- VMD window doesn't show up
- VMD window transparent in Opensuse 11.1 ATI system
- VMD window turning black with Nvidia 3d vision on ASUS monitor
- VMD with 3D TV
- vmd with 3d vision
- VMD with amber rst7 and parm7 files
- VMD with Babel and chemical2vmd
- VMD with charmm program
- VMD with Cuda 6.5, Mac OS X 10.10
- vmd with cuda1.0
- VMD with EGL
- VMD with Falcon
- VMD with LAMMPS trjaectory - help?
- vmd with no x
- VMD with Python on MacOSX 10.7.5
- VMD with sensible phantom haptic device using VRPN
- VMD with stereo on RedHat Linux
- VMD with VRPN 7.33 and Phantom Omni on Windows 7
- VMD with XTC trajectory and stride
- VMD within emacs
- vmd without OpenGL window
- vmd won't display in lines
- VMD won't make mpg out of my trajectory
- VMD working on Linux i386 w/ Mesa & Nvidia
- VMD workshop material
- VMD write pdb error
- VMD XRequest errors
- VMD XYZ plugin: add support for reading velocities
- VMD's NAMD GUI
- VMD's Python/Tcl - importing libraries
- VMD's superposition algorithm
- VMD, CAVEs and pointing devices
- vmd, linux & dri
- vmd, linux & dri (fwd)
- VMD, MultiSeq, STAMP
- VMD, NAMD and Interactive Essential Dynamics (IED)
- VMD, NAMDenergy & AMBER parameters
- VMD, Paratool
- VMD, Tachyon and depth of field
- VMD, VRPN, Phantom Desktop
- VMD- Ra Measurement
- vmd-1.7.1 installation problems
- VMD-1.8.2 OpenGL Shader Extns. and Chromium
- vmd-1.8.2, Spaceball and FC2
- VMD-1.8.3 installation erRor
- vmd-1.8.4b10/Linux amd64 only libstdc++.so.6 dependancy
- VMD-1.8.5: GLSL & NVidia troubles + fixed previous Spaceball problem
- vmd-1.8.6 fails with python-2.5
- vmd-1.8.7 building from source ->few plugins "package could not be loaded"
- vmd-1.83's crash upon pdb load
- vmd-1.8a10; psfgen; AMBER-trajectories; strange bondlengths
- VMD-1.9.1 and TC/TK-8.6 break analysis g(r) and IR Spectral Density Calculator
- vmd-1.9.1 broken after upgrade to Ubuntu 13.10
- vmd-1.9.1 linux installation problem
- vmd-1.9.3 problem with nvidia driver 375
- vmd-1: Colors in Representations Tab
- vmd-1: Creating movies in VMD
- vmd-1:how to merge two proteins (receptor & ligand)
- VMD-Cones and Povray rendering
- VMD-CUDA crash on Mac OSX 10.8.2
- vmd-density-profile
- VMD-I:
- vmd-I: Creating PSF from PDB files
- vmd-I: Fatal Error: Unable to Open CHARMM Parameter File
- vmd-I: remove water, protein from a dcd
- VMD-I: rsmd calculation
- vmd-I: Using the MergeMultiFramesPDB code
- vmd-I:Hbonds
- vmd-l : VMD1.8.5 : multiseq db
- vmd-l digest V1 #1086
- vmd-l digest V1 #1583
- vmd-l digest V1 #2344
- vmd-l digest V1 #4449
- vmd-l digest V1 #514
- vmd-l digest V1 #579
- VMD-L digests available
- VMD-L downtime Feb 18/19...
- vmd-l DynamicBond between two given type of atoms
- VMD-L Entropy calculation in VMD
- vmd-l incoming mails become Spam
- VMD-L Mailing List: Velocity autocorrelation and spatial distribution functions
- VMD-L membership pruning, more anti-spam measures..
- VMD-L moderation fully automatic from now on....
- VMD-L post spam blocking, rescued messages from the last 30 days...
- VMD-L Regarding Zinc parameters
- VMD-L: how to rotate the molecule so the long axis will be aligned to Z
- VMD-L: how to select water molecules between two residues in a trajectory.
- vmd-l@ks.uiuc.edu
- vmd-lQ?= gamess plugin error when using symmetry operations
- VMD-Main window doesn't load after change in .vmdrc
- VMD-NAMD and PDB element column
- vmd-read data from lammps
- vmd-rmsd-color-tool
- vmd-vrpn in windowsXP
- VMD-VRPN-PHANTOM problem ?
- vmd-xplor
- vmd-xplor and noe call
- vmd-xplor and noe call ]
- vmd-xplor installation
- VMD-Xplor interface problem
- VMD-Xplor problem
- VMD. PSF and lone pairs
- vmd.ps
- VMD.RC Question
- VMD/Eye3d/Linux/Nvidia question
- vmd/gaussian cubes
- VMD/IMD problems on MacOS Yosemite
- VMD/NAMD at SC2007
- vmd/namd connection in linux
- VMD/NAMD downloads, web site status
- VMD/QMTool generating multiple outputs
- vmd/vista32b/zalman M220 stereo?
- vmd1.8.2 on laptop
- VMD1.8.5 : multiseq db
- VMD1.82 version with MacOS10.3.3 DO NOT WORK
- VMD1.82 version with MacOS10.3.3 Problem solved
- vmd1.8a16 - no stereo on linux any more
- VMD1.9.1 is crashing my system
- vmd1.9.2 alpha on windows/Mac
- vmd1.9.23 rlwrap: No match
- VMD1.9.4a57 crashes when main console moved to second display
- vmd1.9beta1
- vmd1.9beta1 namdEnergyPlugin
- VMD: 1.8.7 win32 opengl runtime error
- VMD: Ability to add terminal carbonyl oxygen
- VMD: EDM and Gaussian "Cube" reader scripts available
- VMD: error in ffTK torsion angle optimization
- VMD: Mutator --> ASP to ASN problems
- VMD: Potential Energy Calculation
- VMD: Problems loading PDB Files from behind a proxy server
- vmd: Saving output
- VMD: set light coordinates
- vmd: Tcl script help
- vmd@ks.uiuc.edu,johns@ks.uiuc.edu
- vmd_init
- VMD_orient
- vmd_pdb file format
- vmd_plot
- vmd_start_problem_in_mac OSX
- VMD_waterbox
- vmdbasename: Undefined variable
- vmdcavemem....
- vmdcollab in VMD
- VMDFORCECPUCOUNT
- VMDMODULATERIBBON or sausage representation
- vmdmovie
- vmdmovie (ppmtompeg) doesn't work
- vmdmovie command line
- vmdmovie in OS X.3
- vmdmovie on OS X current
- vmdmovie plugin
- vmdmovie problem
- vmdnumpy ?
- vmdnumpy ? (IED 2.0 on MacOS X /w VMD 1.8.2)
- VMDNUMPY and OS X (Panther)
- vmdnumpy for IED...
- vmdrc file not loaded when the filename is a command line argument
- VMDTECH: CONECTing atoms
- vmdtext & Window
- vmdtext and .cshrc.
- vmdtext on Mac OS X
- Voicemail from Pavan Ghatty (5 seconds)
- Volarea
- Volarea command line options
- Volmap
- volmap command and masks
- volmap commands
- volmap computation_ILS method
- VolMap data format
- Volmap ILS: Orient function & Invalid VDW parameters Error
- volmap masks
- VolMap Occupancy
- volmap parameters
- volmap question
- volmap to find free volume
- VolMap Tool coulombmsm - with periodic boundary conditions
- VolMap Tool Question
- Volmap Tool: Angular or spatial correlation function around a center molecule
- VolMap use !!
- VolMap. mass weighted densities
- Voltool Averaging Maps
- voltool mask usage
- Volume accessed by a molecule during the MD simulation
- volume analysis in vmd
- Volume coloring problems
- Volume considered in calculation of g(r)
- Volume data formats
- volume from VMD and NAMD different?
- volume of hydration shells
- volume problems
- volume shading in 1.8.3b1 ?
- Volume Slice
- Volume Slice + Coloring by volume problem in MacOsx
- Volume Slice + Coloring by volume problem in MacOsx (REPOST)
- Volume slice color scale
- volume slice problem
- Volume slice rendering TachyonOptiX
- Volume slice-I: slice color
- Volume slice: slice color
- volume slices
- Volume slices of Gaussian Cube Files: Color scale
- VolumeSlice
- Volumeslice doesn't work in 1.8.3
- Volumeslice in arbitrary plane
- VolumeSlices
- Volumetric Data Formats for VMD
- Volumetric data: Periodic expansion does not work; why?
- volumetric maps
- volumetric trajectory
- volutil option
- volutil: -combinepmf - Bug?
- VR
- VR movie
- VR Movie Rendering
- VR Movies
- VRAM memory piling up OPTIX 1.9.4a42 rendering consecutive frames
- vrml
- VRML files from VMD are malformed
- vrml output
- VRML2 export and viewpoints
- vrml2 export without PROTO?
- vrml2 output crashes VTK/Paraview
- VRML2.0
- VRPN & PHANToM Omni
- vrpn and vmd 1.9.3 - which version to use ?
- VRPN driver for Novint Falcon haptic device available - Looking for Testers
- VRPN support for the Windows VMD 1.9.1
- VRPN, phantom and VMD...
- VRPN-ICMS conflict with NVidia driver
- VS: average area per lipid
- VS: Outline rendering style with Tachyon
- VTF
- VTF file
- VTF trajectory from coarse grained ESPReSo simulations. Visualization in Windows.
- VTK with VMD
- W4tches from simple to luxurious at Prest1ge Repl1cas
- Wait command in Win2000
- Waiting for files to load in VMD
- Warining when generating psf file
- warning during psfgen file
- warning from psfgen: poorly guessed coordinates...
- Warning in the log file
- Warning) Unusual bond between residues 25 and 26
- Warning: add bond failed in patch ACE
- WARNING: Coordinates will be rotated to comply ...
- Warning: no convergence in alignment
- Warning: poorly guessed coordinates using PsfGen
- warnings during plugin build
- was: Selecting Cl- Na; now: redefining key words in VMD
- Watches for him, her and you
- Watches made to impress
- Water and protein
- Water atoms' explosion out of solvate box in my RBCG simulation on NAMD
- water box
- water box...
- water box...density!!!
- water bridged H-bond calculation
- water bridges
- water cluster analysis?
- water cluster size analysis
- water in a certein box
- Water in binding site
- water in crystal
- water inside the protein
- water interaction - force field kit vmd -
- Water interaction generation step in ffTK
- water is forming bonds between hydrogens
- water is forming bonds between oxigens
- water layers
- water mean residence time
- Water mediated hydrogen bond - VMD script
- water model
- water model used for the waterbox in VMD
- Water Models
- Water molar mass in autoionize.tcl
- water molecule count
- Water molecule ID in Hydrogen bond plugin
- Water molecules
- water molecules amber force field
- water molecules around proteins
- Water molecules cling to protein in last frame
- water molecules in residue interaction
- water molecules shooting during SMD + PDB WRITE ERROR
- Water molecules within a definite radius
- water numbering
- water permeation across the channel
- water residence time
- Water segid split
- water selection
- water sphere
- Water Sphere Solvation
- water sphere?
- Water visualization
- Water within the minmax of protein
- Water-mediated hydrogen bonds
- Waters enclosed in internal cavities
- Waters per residue in ion channel
- waters selection
- waters within hydrophobic pore of protein
- wavefront and VMD
- Wavefront obj output
- Wavefront output of VMD
- Way to change ColorScale Method to single color gradient?
- Web Portal NAMD Job Visualisation...possibilities?
- web script
- Web-based Flash/Quicktime 3-D VMD/Tachyon renderings of PDB structures
- Webinar on VMD's use of GPUs to accelerate MD visualization and analysis
- Webpdb crashing
- webpdb load problem
- Weighted RMS fit bug
- weird atomselect problem
- weird behavior with RMSD
- Weird bonds in water box/sphere
- Weird lighting in CAVE
- Welcome to vmd-l
- Welcome to VMD-L!
- WG: vmd and proxy settings
- WG: VMD mismatch between CUDA runtime and GPU driver
- WG: zoom and focus on on a selection
- What applications are the cest?
- What does pbc get -now do
- What does Stride need to draw SS?
- what is difference between "TOTAL", Q=80=9cTOTAL2=22_and_=22POTENTIAL=22_in_the_VMD_plugin_NAMD_Plo?= t?
- what is difference between "TOTAL", “TOTAL2" and "POTENTIAL" in the VMD plugin NAMD Plot?
- What is missing when using VMDSIMPLEGRAPHICS 1?
- What is revbonds in cgtools.tcl?
- what is the center of rotation for the transformation matrix obtained by "measure fit" command?
- What is the correct way of using "pbcwrap" with "atomselect [within]"?
- What is the influence of PBC on measure bond?
- What is the reasonable GPU usage when running simulation in VMD?
- what is wrong with this script?
- What occupancy at the Hbond plugin mean?
- What unit system does VMD use?
- what's the Letter in figure caption meaning of TIME-LINE 2nd structure present?
- What's the main reason of the structure or function of a protein?
- what's the unit for color scale data range?
- What's wrong with my VMD
- when i use imd connect in vmd,i can not type words in hostname textbox
- When should I use NTER and NNEU as a patch?
- when will 1.9.2 be released?
- where are the files provided with MDFF TUTORIAL?
- where can I download Tachyon version 0.98.10 ?
- Where can I download VMD alpha version
- where can I find the parameter file for chlorophenols?
- Where can I read the specifications on molecular file formats?
- Where did I put those angles?
- Where found QwikMD 2.0?
- where is option "Image Smoothing"?
- where is the "move" procedure in the toturial
- Where is the memory leakage?
- Where is the Tracker Menu
- Where should I put script file?
- Where to download Hbond plugin
- Where to find cholesterol ester in PDB format
- Where to find top_all36_cgenff.rtf/prm version 4.5?
- Where to save the script
- where's the download link for one specific plugin?
- wheris sculptor.tcl
- Which drawing method is used in the picture?
- which files to make a spatial grid?
- Which function for animate speed
- Which Linux distribution works best with Quadro cards?
- which model in pdb vill VMD present?
- which nForce to use?
- Which phosphoserine patch to use: SP1 or SP2?
- which POPC Bilayer is better to start?
- which version!?
- Which VMD AND NAMD should install
- Which VMD executible to use?
- which water models are inbult in namd? can I use SPCE if yes how?
- White background
- Why are all carbon atoms lumped into C in the Name category in the colors dialog?
- why atom positions are reset after readpsf, coordpdb commands?
- why atomselection "protein" can not choose all the protein atoms with different alternate locations?
- Why can VMD not be opened?
- Why do the coordinates of my atoms change when writing to a pdb file?
- Why does dipole moment depends so strongly on constraints?
- Why does lipid move out of water box
- why does VMD load dcd file so slowly?
- why does VMD quit automatically?
- why electrostatic interaction energy increases with the increase of cutoff using namdenergy
- Why get an original watch?
- why huge positive vdw energy from namdenergy plugin
- Why is the 'antialias' option is grey?
- why mdff griddx command cannot generate .dx file
- Why NAMD??? a general question
- Why the 4ake-target_autopsf.situs can not be generated in MDFF tutorial?
- Why the restype color of Gly residue in protein is green (polar)?
- why the same operation vary so large
- Why the win_version of vmd1.86 can not change to python interpreter?
- why tutorial cannot be played?
- Why vmd can't connect vrpn server in windows xp?
- why vmd cannot load situs type file in MDFF?
- why vmd cannot load the dcd trajectory?
- Why wrapped and unwrapped trajectories show different energies over the time?
- width for triangle
- wildcards in atomselect command
- WIN64 build
- Win64 version
- window size
- windows 98/ vmd14a2.exe & vmd14b1.exe
- Windows build newer than 1.9.3
- Windows Server 2019 support issue of VMD and NAMD
- windows usage question
- windows version of VMD
- Windows version, system out of memory
- Windows version: Loading/writing files
- Windows VMD 1.9.4a Version Failing
- Windows vs. Linux
- Windows XP and Eye3D glasses
- Windows XP refresh rate bug/stereo, information page
- Windows XP SP2 and some OpenGL drivers....
- Windows/Cannot generate .dx file!
- winvmd error
- winvmd error during calculation
- winvmd stopped working
- within and exwithin macro
- within command
- Within X1 of Y but not within X2 of Y
- within, used with pbcwrap
- word too long
- Work around and problem with 1.7 for MacOS X
- workaround for DynamicBonds
- working on VMD for Analysis..
- working out the output files from Timeline
- Working with trajectory and updating frames dependents on current frame
- working with VMD
- Workshop - Computational Molecular Physics of Non-Bonded Bio-Molecular Interactions
- Workshop for Computational Chemistry and Physics
- Workshop In Aspen Colorado -
- Workshop on Computational Biophysics, Urbana, IL: Application Deadline March 10th
- Workshop on Free Energy calculations in Muenster March 11-13 2020
- Workshop on GPU Programming for Molecular Modeling, August 2-4, 2013, in Urbana, Illinois
- Workshop on GPU Programming for Molecular Modeling, August 6-8, 2010, at the Beckman Institute in Urbana, Illinois
- Workshop on GPU Programming for Molecular Modeling, in Urbana, Illinois, July 22-24, 2014
- Workshop on MD simulation software design
- Workshop on Scientific Software Development at ICTP in Trieste
- Workshop on Very Large System Simulation, Urbana, IL, August 11-15, 2014
- wrap ions
- Wrap only whole molecules
- Wrap PBC inside unit cell
- Wrap with PBCTools
- wrapall visualization
- wraping creates extra bonds!
- wraping two chains from a simulation
- wrapper for VMD to read compressed .xz files
- wrapping and extra points in gromacs trajectories
- wrapping atoms along a specific axis with pbctools
- Wrapping atoms around unit cell boundaries
- Wrapping creates extra bonds..!
- wrapping DCD files
- wrapping dimer units in a Desmond traj
- Wrapping membrane to center of PBC-Box
- Wrapping molecules in simulation of an aggregation phenomenon
- Wrapping molecules in unit box
- wrapping multi chain proteins
- wrapping option in namd
- Wrapping problem
- wrapping with bigdcd
- write a new dcd file for a sub selection of atoms
- write bonding/connectivity to file
- Write DCD
- write new dcd after duplicating periodic images?
- write output pdb for lots of different selections
- write pdb and psf with missing segments in original pdb file
- write pdbs of selected frames of a trajectory
- write psf is generating an error
- write trajectory of selected atoms
- Write umbrella windows
- write vel binary file from dcd (command line)
- writegmxtop error invalid command name "..."
- Writepdb all frames of DCD to same file using command line
- writepdb and list problem
- writepdb and list problem- Resolved but still...
- writepdb append
- writepdb using selection form different molecules
- Writepdb with Solvation Box
- writepdb, wrong lines in output
- writepsf error...
- writepsf method of atomselect objects generates bad atom types
- writing a new plugin
- writing a new trajectory with selected atoms
- Writing a pdb file with header information
- writing a psf with bonds
- Writing a trajectory - with box information
- Writing all transformed coordinates into single file
- writing charmm psf files
- writing coordinates of a selection only
- writing DCD files
- Writing DCD files using animate
- Writing DCD from modified coordinates
- Writing dcd/pdb file of selection from NAMD velocity dcd file
- writing Gaussian input files in FFTK .....
- writing gromacs .trr format with nonorthorhomic cells
- writing improper dihedral in topotools,
- Writing in NAMD binary format in VMD from TCl/Tk console?
- writing initial coordinates in Amber format
- Writing Lammps data file
- Writing MolFile plugin for CIF
- Writing new coordinates to file.
- Writing out .dcd for discontinous frames
- writing out a new dcd file
- writing pair/bond/angle/dihedral information for lammps input
- writing PDB
- Writing pdb files for trajectory frames
- Writing pdb without chain identifier
- Writing povray files from a VMD trajectory
- writing psf file without any coordinates
- Writing Python Plugins properly
- writing velocities from VMD
- Writing velocities in lammps dump file
- Writing Wrapped coordinates to a xyz file using TCL script
- wrong bond and bond breaking
- wrong bond drawing with pdb files
- wrong bonds during loading pdb file(protein plus lipids)
- Wrong coordinates using guesscoord in psfgen - lipids
- Wrong net charge after patch
- www.tcl.tk DNS taken by cybersquatter...
- X & Y co-ordinate data
- X error
- X server is not capable of displaying double RGB images with a Z buffer
- X-PLOR EDM files (from AMBER)
- x-plor map file and readedm
- X11 on Mac 10.8
- X3D render NewRibbons only in blue
- X3DOM sphere resolution
- X_ChangeProperty error
- X_ChangeProperty: BadValue (integer parameter out of range for operation) 0x40
- Xenon binding site free energies
- XenoView saved file (.car/.mdf file)
- XOpenIM failed (failed to find CUDA devices)
- xplor vs. charmm PSF files / psfgen
- XRD from a structure
- Xrequest in VMD
- XTC files in 1.8a21
- xtc plugin writing ability
- XTC to DCD conversion
- xterm
- xterm problem??
- xy diagonal
- XYZ
- xyz aluminium connectivity questions
- xyz animation
- xyz file
- xyz file and VASP CHGCAR file do not overlap
- xyz file format
- XYZ file to video
- xyz files and VMD 1.8.2
- xyz files into dcd trajectory
- xyz movie
- xyz plugin
- xyz to psf
- XYZ to psf file
- XYZ trajectory with different atom types?
- xyz-file loading
- xzy format and ResType
- Yes Another HPUX problem
- Yet another python question: how to run a python script from the vmd console ?
- You and a Rolex watch
- You are right. That's the problem.
- You can s4ve 80%
- You can s4ve 80% Villa
- You can save 80%
- Your C0deine 0rder #247424
- your mail
- your mail athlon 64/opteron VMD
- Your Pharm4cy 0rder #2299650
- Your Pharm4cy 0rder #3747312
- Your Pharm4cy 0rder #530152
- Your V1agra 0rder #18671
- Your Val1um 0rder #63504
- Your Val1um 0rder #6578980
- Your Val1um 0rder #799563
- Your Zoc0r 0rder #46390
- Z-axis data extraction
- z-direction selection
- zero box vector
- Zinc ion visualization from Amber trajectory
- zinc-finger protein simulation
- ZN2 vs MG?
- zoom and focus on on a selection
- Zoom-to-fit before rendering
- zooming into a chosen atom
- Zooming with Tcl?
- ~1,5 million system
- ~Tawhid Ezaz~
- : classify and compute the forces between two atoms
- : tkcon problem with my vmd
- : : How to show section contour of volumetric data
- `: How to show section contour of volumetric data
- “Filesize limit exceeded (core dumped)Q=80=9D_with_VMD_on_Linux?=
- ★ vmd-l@ks.uiuc.edu., Parth left a message for you
- 回复: why does VMD load dcd file so slowly?
- 答复: c_top2psf.pl
- 答复: non-bonded interactions
- 答复: the usage of measure bond
- 访问我的图片
Last message date: Thu Apr 17 2025 - 01:02:05 CDT
Archived on: Tue Apr 29 2025 - 02:16:46 CDT
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