VMD-L Mailing List
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About this archive
Starting: Thu Dec 19 1996 - 11:40:41 CST
Ending: Fri May 25 2012 - 14:34:06 CDT
- ! Obtain degrees from Prestigious non-accredite dUniversities
- "animate readdel"? (was: multiple automated calls to NAMD)
- "can not find channel named ...
- "cartoon" failing to show secondary structure
- "cartoon" failing to show secondary structure--more info
- "Determine file type" list is far too long...
- "Distributed Cavelib" VMD port
- "Draw" different things in different frames
- "get {x y z}" returns single value
- "Hands-On" Workshop on Computational Biophysics
- "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
- "Lines" representation does not show
- "Lines" representation does not show:remote
- "measure fit" inaccuracy?
- "measure fit" problem
- "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
- "pbcwithin" keyword
- "Pick item mode" inactive in OSX bundle ?
- "same as" failing?
- "Save coordinates..." silently overwrites existing files...
- "Selection not understood"
- "Sorry, this version VMD was compiled with Python support disabled"
- "tight" selection
- "truncate_trajectory" a new plugin
- "Unable to create OpenGL window"
- "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
- '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
- '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)
- (UNCLASSIFIED)
- (xterm: Command not found) error
- -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 format to .pqr format
- .pdb file from XMD
- .pdbqt file type
- .psf and .params files for IMD
- .psf for porphyrin
- .trr files slow to load
- .vmdrc
- .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
- 0ne of a kind repl1cas
- 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)
- 100% of CPU usage
- 15% off on two watches
- 1999 VMD User Survey Report
- 2 Issues in VMD 1.9 beta3
- 2 more quick questions
- 2 questions
- 2 questions about "measure sasa"
- 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...
- 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 visualization
- 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 pdf problem
- 3D printing
- 3D protein visualization
- 3D Stereo : Windows 7, nVIDIA GEFORCE
- 3D visualization
- 3d viz?
- 3D/stereo hardware recommendations wanted!!!
- 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).
- 4x4 trafo matrices to get "homo-two-protein-complex"
- 64 bit NAMD on AIX and CatDCD
- 6DOF controllers
- 7th Industrial Fluid Properties Simulation Challenge
- 99 Toyotas as low as 2% over invoice
- : about complexing protein and ligand!
- <please insert a decent subject here next time, thanks>
- [AMBER] Viewing with VMD bonds set by the "bond" command
- [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
- [Fwd: pdb from trajectory] some clarification
- [Fwd: problems with manipulating control switches on VMS main menu]
- [Help] cross-sections
- [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] 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
- [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
- [VMD TECH] Tracing VMD Variables (Part II)
- [vmd-l] Graduate assistanship in Bioinformatics at NCSA
- [vmd] K3b bug?
- [vmd] max number of molecules on mac
- [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 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 gas box
- a guide for installing vmd-1.8.7 on ubuntu10.10 (LINUXAMD64)
- a name quesiton
- A patch for OFF import and a question about representation of surfaces
- 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 question
- a question about "measure fit"
- a question about dcd files
- 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 script for angular distribution
- 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
- 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 Atom Index Order
- 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 maximum number of atoms
- 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 parameter "wrapAll"
- about paratool
- About psf file
- about psf file generation
- about psfgen patch
- about resid
- about shape order parameter
- about superimposing by VMD
- About Tcl command
- about tcl program and run tcl script in namd
- About the criterion of H bond
- about the psfgen of vmd
- About the syntax in Autopsf - Add Patch for PRES PLIG
- about TkConsole
- About using trace
- about viewing charge density
- about vmd
- About VMD compile in win32
- about vmd solvation plugin
- about writepdb
- absolute C.O.M motion calculation script: help
- abuot avpos
- Accelerating your VMD 1.8.7 calculations with an NVIDIA Tesla GPU
- Access to bond information inside a VMD plugin...
- Access to Python libraries from Mandrake8.1
- accessing bonds angles dihedrals etc lists after PSF file is read into VMD
- Accessing TCL through Python interface
- accessing values for selection keywords
- accessing VMD help
- ACE and NH2
- ACS award information, Oct 15 deadline]
- ACTC Triangle Consolidation
- Activation energy
- AD:Family Reunion T Shirts & More
- 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 H-atoms to Pdb file for NMR
- add Mg2+
- Add solvation box tool
- 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
- Adding a logo to a screenshot
- adding a metal ion
- Adding a three letter residue name to VMD's protein recognition
- Adding a Water Box
- Adding an atom to existing trajectory (to enable RDF from centre of mass of a selection)
- Adding an atom to the existing pdb
- 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 hydrogen atoms
- Adding labels, etc.
- adding lipid bilayers
- Adding missing residues
- Adding missing residues to a protein
- adding new atoms to a molecule from a script
- Adding New Color Definitions to Color Form
- Adding other online PDB data bases to VMD
- adding patches via autopsf
- adding residue at start or end
- Adding Salt to a system
- adding selections
- Adding Single Residues to a Protein
- 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 ?
- advice for a PCI video card on redhat
- again :resid of water that is H bonded
- again about average strutcure
- Aggregation analysis
- 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 and superimpose crd structures.
- align axes
- align electron density map onto simulated structure (with different center)
- Align membrane
- Align mistake
- Align protein with different number of aminoacid
- align two molecules with index
- Aligning Desmond Trajectories again
- aligning molecules with different number of atoms
- aligning multiple trajectories to a single .pdb file
- aligning one molecule
- 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 fit
- alignment problem
- alignment problem. trying to align new lipid to bilayer, but lipid always has wrong direction?
- Alignment Python
- aligntool
- aligntool docs?...
- All that I never took the time to ask about VMD ...
- all within selection
- allowing negative 'resid' numbers in selection strings
- Altering Definition of Molecular Coloring Method
- Altering water sphere and charmm type
- alternative display mode of HBonds
- AMBER (old ?) nucleic acids names not recognised
- AMBER coordinates with periodic box
- 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 traj to pqr - radii error
- amber trajectory
- Amber trajectory loading
- AMBER6 format
- AMBER9 netcdf trajectory loading
- AMD64 vmd installation problems
- amd64/nvidiaFX1100/linux crash
- amidated C-terminus and pyroglutamate
- amino acid mutation plugin
- aminoacid mutation
- An APBS problem
- an arrow for a dipole
- 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 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 DESMOND OUTPUT IN VMD
- analyzing gromacs trajectory (.trr) with VMD
- Analyzing pdb files remotely with VMD installed locally
- Andres Morales sent you a little gift
- Android support
- angle between protein domains:
- angle between two domains connected at a hinge
- angle between two vectors
- angle calculation trajectory
- angles
- Angles and dihedral generation
- ANGLES and DIHEDRALS ... location in VMD code?
- angles and dihedrals in .psf file
- Angles in psf file
- Animate data
- animate delete
- animate error handling
- 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 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: BioCoRe
- Announcement: QM/MM Workshop
- Announcing MDSalon!
- Another feature request for vmd 1.8
- another trivial question regarding the key setting.
- antechamber for Windows
- antialiasing
- Antialiasing ?
- antialiasing problem
- any body else have VMD problems with Linux + ATI FireGL X1-256p + fglrx-glc22-4.3.0-3.7.0
- Any Mac (Intel) users still running 10.4.x???
- Any methods for real stereo viewing with Mac and OsX
- Any way for comparing two structures??
- Any way to output contact map data
- Anyone have catdcd-4.0 for BlueGene?
- Anyone have cyclic structures I can use for testing?
- Anyone using ATI X1600?
- APBS data visualization
- APBS dx colors depend on order of molec files loaded???
- apbs electrostatics
- APBS error
- APBS error : Cannot read output file
- APBS for small molecules
- APBS installation problem
- APBS plugin
- APBS Plugin for VMD
- APBS plugin, created file pot-PE0.dx
- APBS tutorial link broken
- apbs with vmd, no output
- apocynin/1k4u
- Apologies
- Apologizes for "How to select some sugar atoms"
- 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 while use of Auto PSF Builder
- applying 6dof input forces
- 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
- Ask the Cluster Expert
- Aspen Center for Physics 2013 Workshop
- Assign velocities so I can color by velocity
- Assigning Color Codes for stress/force in .xyz trajectory files
- 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 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/Color change with timesteps
- atom index number
- atom index starting at 0
- Atom movement within a range of Z value
- atom name can not exceed four characters in pdb and psf?
- Atom name label
- Atom names, RES-IDS...!!!
- ATOM or HETATM record
- atom position update for reference atom list
- Atom renumbering in DCD file
- atom selection
- Atom selection based on arbitrary columns in the pdb file
- Atom Selection for RDF
- atom selection in vmd
- atom serial number
- Atom sorting according to resid
- atom type
- Atom typing
- atom velocity arrows
- AtomLexer/lex.yy.c error
- atoms deleted in patch try to come back
- atoms filter?
- Atoms numbers in VMD
- atoms selection
- atoms with changing colors
- AtomSel and Graphics
- AtomSel with object index (Python scripting)
- atomsel: writepdb failed for vmd 1.8.6
- atomselect
- atomselect and macro
- atomselect counting
- Atomselect in loops
- Atomselect in NAMD GUI
- Atomselect on several molecules
- atomselect protein
- atomselect within
- atomselection
- Atomselection for negative values
- Atomselection in NAMDENERGY
- atomselection in order
- Atomselection problem
- atomselection question
- atomselection: number of residues
- attempting to source a script
- Authentication error VMD-xplor
- Auto Bead Display Size using topotools
- Auto IMD
- auto none /psfgen
- AutoHotkey script for managing VMD windows
- AutoIMD
- AutoIMD and fixedatoms
- autoimd error
- AutoIMD on VMD 1.8.3
- AutoIMD on vmd 1.8.6 IRIX....
- autoimd on windows
- autoionize
- autoionize "error procesing bonds"
- Autoionize / SODIUM
- autoionize adds too many ions
- autoionize behaviour on big systems
- Autoionize does not neutralize the system
- Autoionize plugin
- Autoionize plugin problem
- autoionize plugin..
- Autoionize question for DNA molecule
- autoionize script
- automated loading
- Automatic loading of mol2 files
- automatic PSF builder
- Automatic PSF Builder Help
- Automatically shutting down VMD after NAMD terminates IMD connection
- Automatically zoom so that the protein fill the display
- automating graphic representations
- autopfs: unknown atom type error when processing ATP
- AutoPSF
- AutoPSF deleting residues
- autopsf error: failed on end of segment
- AutoPSF errors
- autopsf errors in vmd1.8.5
- autopsf from console
- autopsf generator need at least one atom error
- autopsf needs at least one atom error
- autoPSF with a POPC membrane
- autopsf-patches C++ error 'expected integer but got "" ""'
- autopsf: can't read "logfilename"
- 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 script
- average structure/solute and solvent
- average z-coordinate of a selection
- Averaging volmaps
- Avoid vmd closing with script
- avoiding distance based bond search when reading a PDB file
- AW: PhD position in Computational Structural Biology at MPI Muenster
- AW: VMD 3D movies rendering
- AW: volumetric maps
- Away from email until Sunday...
- Away from VMD-L/email until July 8th...
- Away until July 12, self-help encouraged!
- Axes
- Axes are not rotated?
- Axes dilema
- B factor calculation
- B-factor Plot
- Babel and VMD
- Babel and Windows
- babel compilation error
- backbone dihedral angles over trajectory
- Backbone representation of RNA
- 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
- badwater script - help
- base plane not being filled in for terminal adenines in ribbons/new ribbons
- bash scripts quits after few frames
- Basic membrane plugin questions
- 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
- 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 way for model post processing?
- Best way to bond peptides
- Best way to join two PDB fragments by a peptide bond
- Beta color of atoms
- beta column format in PDB
- beta version
- Big trr trajectory
- bigdcd
- bigdcd + salt-bridge analysis
- Bigdcd - get coordinates from file
- Bigdcd and Namdenergy batch problem
- bigdcd v2.0 testers needed...
- bigdcd v3 available. testers needed.
- bilayer thickness in simulation of POPC membranes
- Binary request
- Binary VMD buid for Linux, text mode only
- 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?
- blank output
- Blank thumbnails and non-working snapshots
- BMP snapshot
- 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 across different proteins
- Bond drawing questino
- Bond in pbc condition
- Bond information
- bond information in psf file
- bond length
- bond length definition
- Bond Lengths
- Bond lengths from PDB and PSF
- bond missimg
- Bond representation of coarse grained molecules
- bonding across periodic boundary
- Bondlength information!
- bonds across periodic boundaries
- 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
- boubt about consistency of measures
- Boundry Dimensions for Solvation
- 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 tube drawing method?
- 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 main?
- Bug in VMD-1.6 (linux, GL)
- Bug in VMD-1.8.7 multiseq functionality
- Bug in VMD?
- bug report in VMD 1.8.5
- BUG with MODEL card in PDB file
- bug?
- Bugfix: new save_state.tcl for VMD 1.8 installations...
- Bugs ? Representation window does not update new material
- Build a VMD forum?
- build dependency
- Building a membrane from a individual surfactant molecule
- Building a sphere of atoms around a chosen atom
- building an uncoming sulfide bridge
- building bilayer with DOPC or other lipids
- building loops
- Building LPS membrane
- Building plugins with Borland Bcc32
- Building polymer psf from monomer topology
- building psf with CMAP, old topology remark entries still in psf
- 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
- Buried Surface Area
- C NH1 C minimization error
- C-terminus link to side chain amine
- ca contact map
- CA distance command
- CA-CA distances in a trayectory
- Ca-dist script
- caculate the RMSD of 10 DNA
- Calculate accessible surface area
- calculate atom distance between two chain
- calculate charges of the binding site residues with psfgen
- Calculate density
- Calculate End-End distance for DCD
- Calculate Free Volume?
- calculate rmsd in a loop:feedback [sorry if you get it twice]
- calculate side-chain dihedral/torsion angles
- Calculate the area of overlap?
- calculate the solvent molecule within a cut off from protein
- 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 changes
- Calculating dipole moment of protein
- calculating distance between center of geometry/mass of methyl hydrogens for all residue pairs
- calculating lipid order parameters
- Calculating minimal distance between two groups
- Calculating parameters in lipid bilayers
- Calculating pocket volume
- Calculating RDF from xyz file
- Calculating RMSD on two sets of points
- 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 volumes enclosed by SAS
- Calculating volumetric data for a molecule
- calculation hydrogen bond.
- calculation limit of gofr?
- calculation of alpha helical content
- calculation of binding energy
- calculation of free energy between lipid membrane and protein
- Calculation of ligand displacement Vs time
- calculation of RMS values
- Calculation of RMSF
- Calculation the Surface Area/Volume of a Protein Cavity
- Call to Stride program failed
- Calling all DCD files in a directory sequentially using CatDCD
- Calling Python hackers....
- calling scripts from the command line
- Camera in VMD!!!
- 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 combine several dcd files into one dcd file?
- can not compile VMD plugin
- Can not enter text in VMD plugin window
- can not import Hessian/charge from single point calculation
- Can paratools really parametrize a structure? Is it really finished?
- 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 build predicted protein structures by homology?
- can VMD display a box?
- Can vmd do symmetry operation?
- 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 fix the position of two atoms while minimization?
- Can we get secondary structure from PDB files?
- Can you show me an example of the .xyz file that is used to calculate the IR spectrum
- can't add packages
- Can't compile VMD 1.8.3: Tachyon 0.97 needed
- 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 pdb file
- can't see all frames in XYZ file
- Can't set graphics window position to 0,0
- Cannot find "cionize plugin" in VMD
- Cannot load file for SASA analysis
- Cannot load Gromos96 trajectory file (attached)
- Cannot perform RMSD analysis
- Cannot read MSMS data files
- Cannot read MSMS facet file
- Cannot run IED! :(
- Cannot start CAVE display
- cant connect Novint Falcon with VMD
- Cant start IED
- capping or patching protein ends
- capturing box dimensions from amber coordinate files
- Card for VMD with OpenGL & Linux
- carnal output trajectory
- cartoon problems (encore)
- cartoon representation
- Cartoon representation for large molecules
- cartoon representation of 1crn
- cartoon selection
- Cartoons and secondary structure prediction
- Catching error info before it shuts down ...
- catdcd
- catDCD 4.0 and xplor
- catdcd and velocity dcd file
- CatDCD Desmond Support
- catdcd in Windows
- CatDCD Question
- catdcd usage with Desmond trajectory
- catdcd vs readdcd.h error checking
- 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
- CDROM/Windows/Linux
- center command
- center of mass
- center of mass position
- center of unit cell
- center scaling and rotation
- center selection problem
- Centering GPCR onto Lipid Bilayer
- Centering of the view on one atom
- centering problem in trajectory tool
- centering seection on screen
- centering selection on screen
- centering the molecule
- Centre of gravity for movies
- CG bead definition
- CG Builder
- cg ionization
- CG lipid bilayer vmd 1.8.7
- CG Map Tool Syntax Error
- cg_bonds.tcl
- cg_ionize
- CG_MD temperature
- CGenFF atom types
- CGTools error: atom select: cannot parse selection text...
- CGTools Plugin
- chain fails
- change axes name
- change color from script
- Change Color Scale
- Change coordinates
- change cylinder surface properties
- change default bond cutoff distance
- change default drawing and coloring method
- change location of temporay file storage (Win2k
- change location of temporay file storage (Win2k)
- change of font
- Change only the CA coordinates in a pdb file via tcl
- 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
- Changing a structure of macromolecule with VMD
- changing atom number in animation
- Changing atom order in DCD structures?
- Changing Beta values for each frame of a trajectory..
- changing bond color
- changing certain dihedral angles while keeping rest of molecule fixed
- Changing color of a given atom
- Changing colors
- 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 frame
- Changing Graphical Representations
- changing label format with some arithmetic
- 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 Text Style
- Changing the atom species during animation
- changing the color of Sn atom
- 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 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
- Charge coloring and Stereo hot keys
- charge information for the PMEpot plugin
- Charge State Confusion
- charge surface area
- charge visualization
- charges in VMD 1.9 vs. VMD 1.8.7
- Charlie Buy your loved one Hermes
- Charm force field for POPS lipid
- charm27 forcefield_topology
- charmm binary ele. pot.
- CHARMM CRD files: COR plugin
- CHARMM electrostatic potential
- Charmm expanded coordinate file format?
- 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
- charmmgen to autopsf
- Cheap 3D Glasses
- Check out my photos on Facebook
- chime vs vmd
- chloroform box
- Chloroform Solvent Box
- Choice of a Linux machine for VMD and high-end computing
- choice of VDW radius
- Chromium
- Cionize
- Cionize on mac cuda
- Cionize question for DNA molecule
- Cl ions
- Clarification on solvent box sizing
- clarification to "problem using pbc wrap"
- classify and compute the forces between two atoms
- Classroom Stereo projection
- Clip
- clip plane and cpk / VdW
- Clipping plane tool and export
- clipplane
- cloning a molecule
- closewater.tcl
- Closing filehandles in vmd tcl script
- Cluster analysis
- Cluster Analysis given a dcd trajectory
- cluster of particles
- Cluster plugin and Gromacs g_cluster
- Clustering MD trajectories
- Clustering plugin updated to v2.0
- clusters visualization with colours
- CMAP and psfgen
- CMAP problem
- CMYK
- CMYK images
- cns files
- CNT Analysis
- coarse-grained solvate usage
- colomb map in volmap tool
- Color a protein based on a property
- color atom by stress
- Color bar
- Color bar in VMD
- color by charge (can colors be changed?)
- color by frame?
- Color by position behavior
- color by resid
- Color by velocity (speed?)
- Color by volume
- Color by Volume on an Intel 945GM
- color change on atoms selected using mouse
- color charmm dcd by kinetic energy
- Color code
- Color error on loading
- Color of bond betwen atoms with different colors
- color problem with Ati Fire GL E1
- Color problem.
- color protein based on an event during a trajectory
- Color Scale Data Range
- color sidechains differently
- Color surfaces by electrostatic potential
- color the surface with electrostatic potential value
- color trajectory using specific values rather than color scale
- color update for xyz trajectory
- Color wheel gradient
- color with name
- color: negative values
- colorid
- coloring according to charge of residues
- Coloring atoms based on timeframe range?
- Coloring atoms by a general scalar
- Coloring based on POS
- 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 HIE, HIP, HID: sorry ... I got it
- coloring method
- coloring method User
- coloring method)
- coloring method: user
- Coloring mols by carbon only
- coloring names
- coloring of an item created by canvas
- Coloring of atoms/molecules
- coloring of trajectory
- Coloring particular atom with particular index
- coloring residues with VMD
- 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
- colors
- colors changed in animation
- colour residues
- Colouring
- Colouring Atoms according to the centro-symmetric parameter
- Colouring atoms named with the same first letter
- Combine Drawing Methods - Cartoon and Disulfide Bonds
- combine together two PBD/PSF files
- combine.tcl
- combine.tcl error
- combine.tcl membrane plugin
- Combined "Within" atom selection
- 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 troubles
- Command to change background to gradient
- Compatibility with Orcad (PSpice) ?
- Compilation
- compilation error
- 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 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 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 on freebsd 4.8
- compile windows binary in linux
- Compiled version for MacOSX with non-standard options
- Compiling CATDCD and VMD plugins on AIX5.2
- 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 VMD
- compiling VMD 1.8.3
- Compiling vmd 1.9 plugins
- Compiling vmd for ppc linux
- 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 full OpenGL
- 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
- compose pdb
- Compressed files
- compressed trajectory support
- 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
- concatenate protein and 2 ligand 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 vmd w/ browser on OS X
- conflict between VMD and Cygwin
- conflict between VMD and Netbeans IDE on MacOSX
- conformational alignment
- conformations of a linker
- Connecting a phantom with NAMD and VMD
- connectivity in RBCG file(pdb extension)
- Connectivity lost when loading second pdb
- connectivity problem
- Consider fluctuating volume for density
- console in vmd-1.8.3 amd64 is blank (like white text on white background) so I can't see any output messages
- constant region selection for animation
- constraints
- 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 lig-pro
- contactmap for RNA
- contacts and pbc
- contour plots
- Contour plots for XYZ format
- Contribution of selected atoms to surface
- control drawing method
- Control of aminoacid ionization in VMD
- 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 trajectory files
- convert .coor to pdb
- Convert an ascii matrix to an image
- convert DCD files to GROMACS .XTC format
- convert PDB file to CRD?
- convert pdb format to normal pdb format
- convert pdb to psf
- convert prmtop to psf
- convert tcl to python
- convert THR and SER to the phosphorylated forms
- 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 coarse grained POPC membranes to atomistic representation (AMBER, GAFF)
- Converting Files with VMD
- Converting graphics to a pdb's coord system
- 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
- CoordinateTransformation
- Copying a selection
- copying parts of an atomselect selection
- 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
- Correlated motion
- correlation
- Correlation Functions
- corrigendum: error when solvating a system
- Corrupt cpmd-vmd.pdf File?
- Could not locate 'dowser' (Program not found message box)
- could not make avi file
- could not visualize DCD file downloaded from VMD website
- couldn't fork child process: not enough memory
- Couldn't locate ppmtompeg
- couldn't open "c:/multiseq-406080740227.start.domain": invalid argument
- Couldn't open required GL library
- 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
- covalently bonded atoms
- CPK Graphical Representation
- crash on ubuntu linux
- CRD problems and CRD to DCD conversion
- Create a new color category
- Create a PSF
- Create atom selection from list of integers
- 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 colors
- create new topology file for new molecule
- create new topology file for new molecule]
- create psf and dcd from pdb
- create surface of overlapping VdW volume
- Creating a cuboid box to fit in atoms
- Creating a demo - updating the OpenGL window
- Creating a fragment of the given protein
- creating a povray file
- Creating a VMD movie from a Tcl script
- creating and appending to DCD in VMD
- Creating AVI movies
- Creating bond between two atoms
- Creating bonds using VMD
- creating chiral molecules
- creating gif animation with povray
- Creating length dependent coloured bonds in VMD
- creating model helices
- creating movie files
- creating nonstandard solvent
- creating periodic images of an atom
- creating psf file
- creating psf from pgn
- creating psf with trimethoprim
- creating scripts
- creating spherical water droplet
- creating videos where the representation changes throughout
- criteria for detecting hydrogen bonds
- cropping the missing residues from other PDB file
- cross correlation in VMD
- 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 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 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 db in Multiseq
- Customized radii
- Customizing vdw radius
- Customizing VMD Sessions
- Cutting a bond
- Cutting a sphere with a specified radius along a trajectory
- cutting short a DMPC bilayer in VMD
- CVS access is back online...
- cvs plugins do not compile because of errors in the sgsmooth.C
- CVS root directory not found
- cyclic peptides
- cylindrical water
- Cylindrical water box
- Data fields in vmd
- data file extensions
- DCD architecture dependence
- DCD Based on a parameter
- DCD command-line options
- DCD file
- 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 large files, charmm-VMD
- 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
- debug
- debugging tool for atomselect
- default colors
- default directory
- Default parameters for image renderers
- Default radii and colors
- Default representation style in command line
- Default resource file (.vmdrc)
- Define "color Element" through rgb values
- define water cavity using atom selection in graphical representations window
- defining bonds
- Defining Bonds in .xyz file format
- Defining graphics colors
- defintion of alpha helix in vmd?
- delatom "no segment..."
- delatom usage - no such segment?
- delete bad atom in psfgen
- delete bonds in TIP3P
- delete bonds in TIP3P water model
- Delete frames in a script
- Delete overlapping residues
- delete residues from trajectory
- Delete Volume Maps via Script
- delete water molecules
- 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 specific residues or atoms
- 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 profile
- Density Profile in VMD
- density profiles
- Depletion of few atoms
- deposition simulation from lammps
- Depth Cueing and dispdev none
- desmond plug-in error
- desmond plugin
- Desmond trajectory conversion to dcd format
- Desmond Trajectory Files on the fly in VMD
- desmond trajectory plugin
- destroyed molecule
- Details of .psf format
- determining vdw, elec, and others
- developing plugins to vmd in python
- Dialboxes
- dict command
- difference for solvating a protein in long box suing or not using Molecule Dimensions
- different colors
- 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...
- differentiating solvent molecules......
- difficulties referencing a variable within a namespace
- Difficulties using Crystal Eyes 3
- difficulties with starting vmd
- difficulties with starting vmd (fwd)
- difficulty in installing VMD on linux.
- diffusion coefficient
- diffusion coefficient from rmsd
- diffusion coefficient plug-in in VMD
- Diffusion Constant
- digest form
- DIHE in topology file
- dihedral & g(r)
- Dihedral angle calculation!
- Dihedral angle calculations for alanine dipeptide
- dihedral angles
- dihedral angles at the ends
- dihedral angles cleaned up
- dihedral angles cleaned up!
- dihedral angles for a lot of identical molecules
- Dihedrale angles in VMD
- Dihedrals Angle
- diplaying multiple frames from DCD file
- dipole
- dipole / move (align)
- dipole moment
- dipole moment - corrigendum!
- Dipole Moment Monitoring
- Dipole moment?
- Direct manipulation of the camera
- Disable the set output
- Discrepancy between colours when coloured by timestep and Tachyon rendered
- discriminate aromatic ring face
- display all frames simultaneously
- Display alternative atom locations using vmd
- Display bond between fragment and protein residue
- Display bond breaking
- display bonds
- 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 problem
- 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
- Displaying an overlay of multiple structures with VMD
- Displaying Bead and Bonds
- Displaying biological unit revisited
- Displaying Counter alongside animation
- displaying double, triple bonds
- 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 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
- 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 calculation in TkConsole
- Distance lines
- Distance measurement via measure bond
- distance of two center of mass
- distance to solvent accessible surface
- distance tween two atoms
- Distance, angle
- distances
- distances on a isosurface plot
- distribution analysis
- Disulfide bonds
- 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
- dmpc membrane
- DNA and low pH
- DNA form
- DNA hairpin
- 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
- docking
- docking in VMD
- Docking protein-protein
- Does command "animate delete all" free memory?
- Does Paratool support CgenFF?
- Does this work with VMD: Nvidia 3DVision Glasses + SyncMaster 2233RZ + GTX 580 + Win7?
- 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?
- DOPC membrane
- dots per inch?
- 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: child process exited abnormally
- DPPC
- DPPC Bilayer Size
- Draw a box cell for a crystal
- Draw a circle
- draw a vector
- draw bond across cell boudary
- Draw Bonds
- draw command
- draw command with different material
- draw hydrophobic contact
- Draw in a new layer problems
- draw intersection volume between two spheres
- draw line
- draw lines
- draw multiple frames
- 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 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 cylinder in VMD
- Drawing electron density surfaces (from cube files)
- drawing helices from partial aminoacids
- drawing lines
- 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
- 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
- duplicate atom coordinates in PDB files
- duplicate frames / slow down movie
- Duplicate VMD-L emails...
- duration of video mpeg
- Dynamic 'Determine file type' list in main menu !?!
- dynamic atom selection
- Dynamic bond calculation
- dynamic bonding
- Dynamic bonds and H2 molecules.
- dynamic bonds question??
- dynamic coloring
- Dynamic lines
- Dynamic selection of residues in a trajectory
- Dynamic selection of residues on a trajectory
- dynamical list of atoms
- Dynamical Network Analysis programs gncommunities and subopt
- 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
- easy way to adjust dihedral angles?
- ed and vmd
- 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 map render problem
- electrostatic potential
- Electrostatic potential mapping
- electrostatic potential maps in vmd
- electrostatic potential maps.
- element Si
- eliminate atoms from psf and pdb files
- ellipsoidal particles
- Elliptic molecules
- embed VMD in web page
- Empty Extension menu on OSX
- enable direct rendering DRI on fedora core 2
- Enabling a menu on the top level
- enantiomers
- Energy
- energy calculation in VMD
- energy minimization of a trajectory with vmd+namd
- Energy plot script
- entropy calculations
- Epsilon, Rmin for copper ions
- equilibrating a membrane patch
- Equivalent Mouse Capabilities to Tracker CAVELib
- Erro compiling vmd and or fltk
- ERROR
- error - with unknown atom type +CA
- error after changing of PYTHONPATH variable
- error Autoimd
- Error compiling trio
- error during creat .psf file
- Error Encountered in making vmdmovie
- Error encountered when quitting VMD on the Mac
- Error generating psf files
- Error in "measure fit"
- Error in changing on screen options of VMD
- Error in coordinate information of PDB file after merging
- Error in Linux
- error in loading psf file generated from lammps data file.
- Error in modifying and concatenating two pdb files into one [plz Help!]
- error in movie generator
- error in psfgen file
- error in rbcg-2007.par file
- error in rmsd.tcl for tutorial
- Error in running VMD on AMD64-bit machine (Fedora Core 4)
- 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 dcd file on Windows XP
- error loading pdb files
- 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 occurred in RMSD Trajectory Tool
- error message using gofr
- error messages "*** glibc detected *** free(): invalid pointer"
- Error on DNA
- error processing angles
- Error processing bonds
- Error psfgen
- error python
- Error running IED
- Error running IED with VMD
- Error starting second VMD
- error using Molecule.save() (vmd python)
- error using Namdenergy
- Error using namdstat.tcl script
- Error vmd and Nvidia Graphik Card
- Error when compiling Plugins from source code
- error when making a movie
- Error when running ied.py
- error when solvating a system
- error when solvating protein/vmd1.8.4a22
- error while generating a tetramer using transformation matrix
- error while loading shared libraries: libGLU.so.1
- Error while running scripts: terminate called after throwing an instance of 'std::bad_alloc'
- Error while running steered MD script
- ERROR while using PSF builder
- Error with stride
- error with top2psf
- 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, Tk option requires Tcl
- error. Autoimd
- Error: failed on end of segment with RBCG
- ERROR: graphics: color index value '1057' out of range
- Errors compiling VMD on 1.8.3 on Solaris x86
- errors with using surf and MSMS representations
- eTimeBanker Bill Pay Service
- euler angles
- Euro QSAR 2004
- Example tutorial
- Exceeded maximum number of bonds
- Exceeded maximum number of bonds (8)
- exclude residues
- Exelent quality watch
- experience using VMD with 3-D printers?
- Experience with Asus Netbook
- explicit secondary structure
- Export problem Licorice to STL
- export Ramachandran datas
- Export VMD graphics to POV-Ray
- Exporting a protein surface into a mesh (plain text file)
- exporting marching cubes data from QuickSurf
- Exporting VMD images to Alias
- exporting xyz file
- extended xyz
- Extensions menu is blank
- 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
- extract centers et radii of beads model
- extract euler angles from transformation matrix?
- Extract parameters of Shape-based Coarse Graining model from AA simulation
- Extract specific frames from trajectory
- extracting distances
- Extracting IR spectra from trajectories
- extracting values from a dx file
- extraction of bound water molecules in a trajectory
- Eye position / camera position
- fading rep scripts
- Failure of AutoSCFBuilder to recognize all monomers
- Failure to open PDB files
- Failure with AutoPSF (PDB has x, y, z zero)
- Famous repl1ca w4tches r0lex Cartier Bvlgari
- fancy representations for lipids?
- Fast routines for distance evaluations using PBC.
- fasta2pdb
- Faster secondary structure assignment
- FATAL ERROR: ABNORMAL EOF FOUND - buffer=*0 0*
- favorite VMD material settings?
- FC4 stereo problems
- feature request
- Feature request for vmd 1.8
- Feature request: modify several representations at the same time
- Feature request: output to Blender 3D modelling software
- Feature request: PBC from CHARMM DCD files
- 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
- few colors in new ribbons representation - raytrace output
- ffTK in the just released VMD 1.9.1
- FFTK plugin: in which order should the components be run?
- 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 of DCD Trajectory file
- 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
- files
- Files closing/Memory issues in VMD
- files for air
- find avgstruct
- find neighbour ligand-protein
- finding charges and diameters
- Finding residues involved in Hbonds.
- Finding residues with some distance
- Finding resname without using atomselect?
- Finding the length of multiple small molecules
- finding water around protein
- fit dcd is not converging
- fit.tcl
- fitting
- 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
- Fixed number of solvatation water
- fixing a molecule
- Fixing CAVE Functionality
- Fixing the View in a Movie
- flashing the VMD
- flasshing the VMD
- Flexible Water molecules
- floating error - tcl script
- Flow Fields
- Focal blur with Tachyon
- follow up
- Follow-up to PME question
- follow-up to previous message
- font size
- fonts for paratool
- For loops decelerate
- For Users of VMD
- Force extension from SMD log file
- Force field atom types
- Force field toolkit (ffTK) - problem of reading Gaussian log file
- Force Field ToolKit - Angles
- Force Field Toolkit: scaling, weight etc
- force over selection
- format of pdb file
- Format of the axes
- Formation of a gold layer
- Formats supported by animate write file_type
- fortran bindings for molfile library
- fortran/tcl
- FPS indicator color
- 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)
- Frames-Movie
- Free Cluster-Building Workshops - 16-17 Mar 2006, 20-21 Apr 2006
- 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
- from points to a surface ?
- From Vmd to lammps data file
- ftp failed
- full version OEM soft
- Fullerene coordinates
- Fullscreen mode in VMD
- Functional Groups
- Funny tcl/tk script behavior....
- Further angle question
- 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: Announce: STRAP
- Fwd: atom serial number
- Fwd: autopsf error: failed on end of segment
- Fwd: autopsf-patches C++ error 'expected integer but got "" ""' SOLVED, MY FAULT
- Fwd: calculation hydrogen bond.
- Fwd: Calculation the Surface Area/Volume of a Protein Cavity
- Fwd: CG lipid bilayer vmd 1.8.7
- Fwd: charmmgen to autopsf
- Fwd: convert prmtop to psf
- Fwd: Copper ions paratool
- Fwd: Crystal eyes stereo on un supported Mac G5 GeForce FX5200
- Fwd: Digest
- Fwd: Dowser plugin: Error message
- Fwd: Failure of AutoSCFBuilder to recognize all monomers
- Fwd: Failure with AutoPSF (PDB has x, y, z zero)
- 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 to pick up the lost periodic information?
- Fwd: Initial configuration reorientation
- Fwd: linux FC3 VMD vs insightII conflict
- Fwd: Linux installation issue
- Fwd: memory overflow problem of Tcl scripting when dealing with trajectories(sorry for cross mailing...)
- Fwd: MOE discussion
- Fwd: namd-l: hBond component in colvars and patching
- Fwd: obscurity in sbcg tutorial description
- Fwd: paratool - parameter generation from gaussian log files
- 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 with cartoon and secondary structure
- Fwd: Question regarding HBond analysis
- Fwd: Restraints on coarse grained model
- Fwd: Saved project and paratool
- Fwd: sbcg with multimers
- Fwd: scripts CGTools
- Fwd: spacial distribution function
- Fwd: superimposing molecules
- Fwd: Tcl script
- Fwd: trajectory_path.tcl queries
- Fwd: version 1.8.7 for amd64 and cg tools
- Fwd: vmd first installation
- Fwd: vmd installation Linux Debian i386
- Fwd: Vmd molecule rotation and translation
- Fwd: VMD Stereo does not work Quadbufferd
- 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
- Gaussian Cube file with VMD
- Gaussian03 output
- gaussinan_log_file_error_can't use empty string as operand of "/"
- Geforce 3 DRI crashes
- GeForce FX5800 and VMD 1.8.1
- General query on MD
- General question about the memory usage of VMD
- Generate a PSF file for small, simple molecules
- Generate psf file for cyclic peptide
- generate psf structure
- generate surface figure
- Generatin PSF for alkanes
- generating
- 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 COORDINATE FILES
- generating lipid membrane psf file
- Generating more than 100,000 water molecules
- Generating nanotubes psf file
- Generating parameter file for Cl2-
- generating psf file for a lipid: vmd looking for c-term and n-term ?
- generating PSF file for a small molecule
- Generating PSF for 1JNO.pdb chain A
- Generating psfgen of multimeric protein complex
- Generating Topo Bond Data from LAMMPS Data File
- Generating water transparency around a protein
- Genrating psf
- geometric location of amino acids in proteins
- get a PDB file from DCD file
- get average coord. from .pdb file?
- get average structure from dcd file?
- get avg ca distance
- get charge
- get coordinates
- Get one of these awesome replicas
- get Ramachadran plot using textmode
- Get the camera position
- get values from openDx grid format
- get view direction
- 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 heavy atom contacts
- Getting history and file completion to work in vmd console ?
- 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
- 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 rendermode now OK on Linux with NVidia 8756 driver version
- GLSL with ATI 5750 in Mac OS X 10.6 / 64-bit build
- GLXBadLargeRequest
- GLXBadLargeRequest and BadLength messages
- glycerol
- glycerol box
- gmake invalid option --c install
- GNU-Darwin rides Tiger, packages back on-line
- GnuPlot works!
- gofr
- gofr limit, Kirkwood-Buff integrals
- Gone until July 6th.
- gopython
- GPCR-Membrane Issue
- GPGPU Programming summer school at University of Tennessee, Aug 10-14.
- GPL compatible PluginMgr/vmddlopen
- GPU choice for large systems
- GPU test machine
- Grab tool: picking problems
- Gradient Background
- gradient background not rendered
- graph button on label form
- graphic representation
- graphic update
- 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 cards
- graphics display works sometimes
- graphics for publication
- Graphics Representation - Drawing methods
- Graphics workstation and Xenon problems with VMD?
- 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 spacing in mdff
- Gromacs analysis tools for Namd output
- Gromacs file formats gro, xtc and trr
- Gromacs reading: Why scaling??
- Gromacs trajectories in VMD
- gromacs trajectory file
- gromacs trajectory files
- Gromacs XTC reader broken in 1.8beta version
- gromos96 files
- group selection
- GTP topology file
- 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-bond analysis
- 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-bonds
- H-bonds?
- H-H bond in solvate
- H-H dynamic bonds
- H2 bond distances calculation n displaying image
- H_Bonds
- handling electron density maps (.mrc and .map files)
- Haptic devices for IMD
- haptic devices VMD/NAMD/IMD
- haptic interfaces
- haptic interfaces && namd on clusters
- 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?
- hbond
- Hbond analysis
- hbond calculation
- hbond calculations
- hBond colvars and patching
- hBond component in colvars and patching
- Hbond donor-acceptor distances
- Hbond in VMD
- 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 count
- Hbonds counting script
- HBonds criterion
- hbonds during trajectorywith vmd 1.8beta
- Hbonds for a specific frame
- hbonds problem
- HBonds Representation
- hbonds time series
- hbonds.tcl selection problem in command-line
- Head tracking with VRPN and VMD
- Headtracking software
- Heat capacity
- helical construction
- helical content script
- Helical King Angle
- Helical Tilt Angle
- helices in coil
- helicity score?
- helix axes
- helix axis for A-RNA
- Helix display
- Helix motions
- 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 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 running IED in VMD
- 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 psfgen issue
- HETATM records are written as ATOM
- Heteroatom entries
- heuristic bond computation
- hexagonal box
- hi
- Hi all,
- hi to all
- hiding and renaming of graphical objects
- HIERARCHY OF INTERACTIONS"
- 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 res stl files
- high resolution images
- high resolution ps or eps picture
- 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
- history in tcl/tk script
- Ho to save exactly the screen structure?
- HOLE output visualization
- HOLE PROGRAM
- Holo-Bench with VMD and Flystick2 and/or Phantom
- HOOMD plugin
- HOOMD problems
- hot keys & save state
- Hot repl1ca w4tches from 2008 Villa
- Hot replica watches from 2008
- 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 draw secondary structures if I only have the carbon alpha coordinates
- 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 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 use the catdcd plugin with the VMD windows version?
- How do I change details of a drawing style using the text interface?
- 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 use the plugin to read the DLPOLY HISTORY file?
- How does VMD predict alpha helices
- How i can changue the charge of my protein
- how is dcd trajectory format !
- how long do ILS runs take?
- How to access the subset after 'fit' and 'move' ?
- How to activate E2SUN emitter
- How to add atoms to a molecule?
- How to add heme to dowser plugin?
- How to add iond for RBCG model
- How to add ions for RBCG
- 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 align a protein normal to lipid bilayer
- How to align two peptide molecules
- how to block psfgen warning messages
- 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 end-to-end distance in VMD?
- how to calculate hydrogen bond?
- how to calculate PBC box volume in VMD?
- How to calculate the C alpha RMSD from NAMD trajectory
- How to calculate the volume of a molecule using vmd?
- how to call dssp in a script
- how to center protein?
- How to change atom type and make it take effect immediately ďź
- how to change paramters in making movie
- How to change the colour of isosurface
- 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 of VMD?
- How to choose part of the volume data for isosurface visualization?
- How to cionize DNA? example needed!
- How to circumvent: FATAL ERROR: Periodic cell has become too small for original patch grid!
- 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 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 connect chains using psfgen
- How to convert DCD file into Amber trajectory file in vmd
- how to convert Desmond trajectories into PDB in text mode?
- how to convert X_PLOR to CHARMM?
- how to creat a file containing only one potassium ion
- How to create bonds in VMD?
- how to create dityrosine links
- How to deal with this sugar residues though psfgen?
- 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 selected atoms from a molecule
- How to determine distribution of the orientation of a molecule
- How to disable automatic view rotations?
- 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 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 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 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 Python on Windows XP
- how to enable the vmd cachemode in .vmdrc?
- how to enlarge the menu font?
- how to export into postscript with MultiPlot in tcl mode?
- how to extract atom information?
- how to find the sign of the dihedral angle (full message).
- how to fix structural alignment pdbs
- How to generate a monolayer in VMD
- How to generate an index (.ind) file?
- How to generate more segments?
- How to get a membran.psf from membrane.pdb?
- How to get all the angle combinations?
- 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 the coordinates of periodic image!
- How to get the whole H2O molecule in a domain?
- How to hide graphics molecules in a python script?
- how to identify DNA-protein interaction interface
- How to image molecules back into a PBC box?
- How to improve the running of VMD with data on remote servers
- 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 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 smooth movies ?
- how to make the picture size suitable for the image size in pov file ?
- 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 some constants
- how to measure the distance between centroids
- how to merge two PDB trajectories?
- 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 plot the data created by VMD analysis script - difference_matrix?
- how to plot waters h-bonded to a protein?
- how to prevent molecule jump around
- how to prevent view reset on data load
- How to produce a graph as the one attached, using VMD?
- How to put metal ion into my protein
- how to put two identical proteins in a same water sphere?
- 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 out .vel file from charmm
- How to read pdbqt file?
- How to read specific DCD frames directly in Fortran?
- How to reduce memory usage of a script?
- How to remove "Lable"
- how to remove chain id ?
- How to remove hydrogens from a pdb file?
- 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 save a list in a file
- 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 image in SVG format?
- How to save the snapshot of my protein?
- How to save trajectory using Tcl commands?
- 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 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 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 default mol style as VDW?
- How to set the default properties of drawing methods?
- How to set VMD_Plugin_path?
- 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 the strain energies of each atom
- 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 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 start vmd with "menu tkcon on"?
- How to stop a script (eg : source myscript.tcl) ?
- how to study the effect of mutation in vmd
- How to superimpose trajectories
- how to transform the coordinate of the atom using vmd
- How to translate my diffused protein back to COM?
- 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 hbonds to calculate occupancy of all hbonds in simulation?
- 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 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 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 wrap a protein with periodic waters
- how to wrap trajectory into truncated octahedral box
- 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: visualization of electron density maps
- how vmd calculate dihedral angle
- howto select stain reveal map
- HRTEM
- Hybond calulator and display
- Hydration
- Hydration dynamics:Phrase selection problem in vmd
- hydration shell volume
- Hydrogen and Water Molecules.
- Hydrogen bond angle
- hydrogen bond energy
- Hydrogen bond energy calculation
- Hydrogen bond representation and cut off distance
- hydrogen bonding
- Hydrogen Bonding energy
- Hydrogen bonds
- Hydrogen bonds plugin obscures charged atoms -- help!
- hydrogen bonds tcl script
- Hydrogen bonds with different evaluations
- Hydrogens in vmd
- hydrophobic accessible surface area
- Hydrophobic interaction
- 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'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'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 in LABEL
- 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, 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?
- illegal mouse mode
- illegal stereo mode
- ILS tool fails
- image jumps
- Image rendering using pov-ray
- images for publication
- IMD - remove forces on mouse release
- IMD in VMD
- IMD interface code and endianness
- IMD interface for VASP
- IMD per TCL
- IMD Plugin Errors
- IMD question
- IMD with linux VMD client and IBM namd server
- IMD with Phantom Omni
- IMD, basic questions...
- IMDEnergies from python
- immersadesk
- implicit casting
- Implicit Ligand Sampling
- Implicit Ligand Sampling-molecule rotation issue
- 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 VMD python modules from external interpreterr
- imposing period boundary conditions in a simulation with a crystal
- Impressive Glashutte timepieces!
- Improve OFF plugin: handle colors
- Improved VMD performance on MacOSX 10.5.2
- 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
- incompatibility between VMD & NAMD for reading Amber crd files
- Incomplete Display
- Inconsistencies in NAMD simulations
- incorrect number of coordinates in .dcd file error
- Incorrect results from 'measure dipole -masscenter'
- incorrect tube, trace and ribbon drawings
- increase light under depth cueing
- increase size membrane
- Increasing MAXATOMBONDS?
- 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
- 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
- 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 on Centos - issues
- install plugin: problems with vmd_install_extension
- Install problem VMD Linux 1.8.6
- 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 on intel i5
- Install VMD on Mandrake Linux
- Install VMD on Window XP
- 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 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-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 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 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 on a PC
- Installing VMD on Debian Linux
- Installing VMD on Fedora
- installing vmd on IBM AIX 5
- Installing VMD to work with MSMS
- Installing VMD Windows version on 64-bit Windows Environment
- Installing vmd-1.8.7 on LINUXAMD64
- Installing VMFD in kubuntu..............
- Intel HD Graphics and VMD
- Intel HD3000 versus ATI Mobility Radeon 6310
- Interaction Energy
- Interaction Energy Using Python
- Interactive MD driver/controller software no longer in beta
- Interactive Simulations, ligand size limits....
- interatomic distances
- Interface Propensity
- intermediate states of a morph
- 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 "His" during Solvation
- invalid command name 'vmdcon'
- invisible files in windows
- Invitation to connect on LinkedIn
- ion 'channel axis'
- ion bead (residue based CG)
- 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
- IR Spectra plugin
- IRIX6 build from CVS
- Is catdcd running on Windows?
- 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 write CHARMM crd file from VMD?
- Is it the bug of VMD1.87_partool?
- Is nvidia 3D Vision + quadro working in linux
- Is position dependent color possible?
- is possible to remove the waterbox before running VMD
- Is there a way to add custormized representation method to VMD
- Is there a way to validate a structure
- 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 VMD compatible with NVIDIA 3D stereo drivers ?
- 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 from pdb with beta field
- isosurface question
- Isosurface rendering
- isosurface saving question
- Isosurface wraps in PME Electrostatics calc'n
- isplay script that displays a system in the original pbc cell
- Issue with NAMD/VMD tutorial
- Issue with wildcat 3 cards
- Issues with flickering display using VMD 1.8.7 displaying over X11 to remote Mac
- Issues with Paratools and Gaussian
- iTrajComp plugin.
- JMV
- JMV Molecular Viewer Support within BioCoRE
- Join tens of thousands of LUCKY winners today........
- 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
- k3b also launches vmd
- keeping original coordinates in trajectory
- 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
- L/R lighting discrepancy
- label all residues
- Label on Movie
- label options
- Label using TCL
- labeling a residue
- labeling bonds between two atoms
- labeling for movie title
- Labelling Coordinates (not Atoms)
- labels
- Labels 'springs' in labels form
- Labels (atom type, partial charge)
- Labels not appearing with "load state"
- lags on VDW
- lammps and vmd
- Lammps Output data format
- LAMMPS reader
- LAMMPS Trajectory
- LAMMPS Trajectory Bond Specification
- LAMMPS trajectory file
- LAMMPS visualization
- LAMMPS Vizualization
- lammpstrj file as pdb
- LANG setting needs to be solved in next release....
- Language definitions - \usepackage{listings}
- Large dcd file
- large DCD file "appears to contain no timesteps"
- large mdcrd files
- Large Molecule in CAVE Enviroment
- Large positive non-integer charge
- large selection
- last call for early registrations for "Horizons2005"
- latest beta nVidia driver for Windows looks good so far...
- Latest Linux News?
- Latest list of VMD citations
- latest vmd
- Launching Tk Console
- Left Right eye stereo flip in Crystal Eyes
- LES problem
- lib/stride/README
- libcprts.so.6 not found by VMD on RedHat EL3 (ia64).
- libGLU.so missing?
- License question
- ligand names
- ligand parametrization
- limit on segment atom number in solvate and autoionize
- lindex related question
- 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 to molfile_plugin libraries
- Linking with FLTK 1.1.0b12
- Linux compile error
- linux graphics adapters?
- linux graphics adapters?)
- 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 thickness
- lipid definition
- lipid headgroup analysis
- Lipid Membrane
- Lipid order paramaeter script
- lipid order parameter
- Lipid Order Parameter]
- Lipid order parameters
- lipid Scd order parameter for a large bilayer (1440 lipids) with a changing bilayer normal (ie. bilayer undulations)
- lipid tail selection
- list in TCL
- list of all the file type keywords for "mol load"?
- list of residue contacts
- Little problem with VolumeSlice
- Load
- 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 state and alignments
- Load struture form memory
- load two or more molecuoles at one time
- load-traj for three dimensions
- loading .gz trajectory files
- Loading .vel file in VMD
- 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 trajectory using bigdcd and job launched on a PBS server
- loading a trajectory where particles aren't conservd
- loading amber file
- loading amber topology
- loading compressed trajectory files
- loading crd files into VMD
- Loading DCD files
- Loading DCD Frames in Python
- 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 limits
- loading MD trajectories
- loading molecule from command line
- loading molecules with increasing number of backbone atoms in VMD
- Loading multiple molecules in one step / "Apply changes automatically"
- Loading multiple PDB files in VMD 1.8
- Loading new molecules into VMD from an application
- loading PDB+PSF
- Loading Problem
- loading python
- loading saved state from command line
- Loading structures into sequence alignment extension?
- 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 packing density around a chemical group (say, a methyl group or a side chain)
- local urea concentration
- Locating channel using hole
- locating or creating a .vmdsensors file for windows VMD
- Locked files in Windows 7
- Loevyou
- Long atom types from CGenFF causing charge problems
- long bonds
- Long file paths in Mac OS 10.5.3
- Looking for assistance on vmd
- 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
- loosing color when rendering molecular surface in VMD
- Loss of VDW upon rendering with POV3
- Lovyeou
- lowest energy structure
- Luxurious costume repl1ca w4tches at lowest prices
- Ma Ming wants to stay in touch on LinkedIn
- Mac and cmd line
- 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 native version resource attach info...
- MacOS X VMD 1.8 alpha 16 "bundle" test version...
- MacOS X window resizing fix...
- MacOSX and the solvate package
- MacOSX bundle
- MacOSX VMD errors.
- MacOSX VMD errors. (solved)
- macros and variables
- Maestro file export
- Mail System Error - Returned Mail
- Mailing List
- Mailing list problems
- maillist
- Main menu not compiled?
- 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 of an unusual trajectory
- making a movie of trajectory file animation
- making a movie with a serie of pdb's
- Making a selection from another selection
- Making a water-only sphere
- making animations
- making bonds myself
- Making good trayectory movies
- 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 ps files
- Making UIobjects
- Making VMD movies
- MANDRAKE and VMD
- manipulate DLPOLY HISTORY files
- Manipulating dcd using script in VMD
- Manipulation on loaded MSMS surface
- manually creating frames for VMD
- manually defining bonds, setting atom colors
- Manunlly Assign Secondary Structure (May Not Be Realistic)
- map files
- mapping delphi potential maps on surfaces
- Mapping electronic potential to surface
- Maria Tziastoudi
- mass weighted rms fit
- Massive Inventory Clearance Sale on DTI 2D/3D 18.1" Flat Panel Displays!
- masure distance trajectory - delete variable
- Matching electron density map and PDB
- 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
- Maximum length of an extended peptide?
- Maximum number of atoms/bonds
- maximum number of molecules
- Maximum numbers of atoms
- maximum trajectory size?
- Maximum velocities
- May 18th, Late abstract submission deadline for 3Dsig Structural Bioinformatics & Computational Biophysics
- May I use my own radii?
- md simulation of a protein and a ligand
- md trajectory: centering/h-bonb residence/coordination number
- MD: Water network analysis + visualization
- mdf molfile plugin reader atom_type bug
- MDFF plug-in
- MDFF problem
- MDFF Query: how to convert XPLOR style density maps to DX or SITUS format
- MDFF sim Problem
- Meadionize
- Mean atom position
- Mean value of el. potential ?
- measure angle between three points in space
- Measure atoms volume on VMD
- measure avpos
- measure binding site SASA
- measure bond length?
- measure command problem
- measure contacts script
- measure dihedral and improper angles
- measure dipole
- measure distance
- measure energy elect vs. NAMDenergy
- measure fit - wrong alignment
- measure fit alignment problems
- measure fit error??
- 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 script
- Measure gofr with large DCD files (Possibly use bigdcd ???)
- measure Hbond
- measure hbonds
- measure hbonds between protein and water - problem with periodic boundary conditions
- Measure hbonds equivalent in Python interface?
- measure hbonds problem
- measure hbonds question
- measure imprp - input order of atoms
- Measure Radius of gyration
- measure rmsf
- measure rmsf - command (step argument)
- measure sasa
- measure sasa gives different results on different platforms
- measure the distance between center of molecules
- measure XYZ dimensions of a system
- 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 orientation of a small a-helix
- measuring torsion angles
- Membrane and box with PBC
- membrane builder
- Membrane builder ?'s
- membrane loading
- membrane modeling
- membrane plugin (IRIX version)
- Membrane plugin error?
- Membrane PlugIn issue
- membrane plugin | lipid structures
- Membrane POPC
- Membrane Protein Tutorial
- Membrane Proteins Tutorial
- 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 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 used by VMD is much less than installed
- Menu is missing?
- menus unresponsive in ubuntu 10.10
- merge
- merge pbd psf files (update)
- merge pdb
- Merge psf and pdb
- merge structure : It is working
- MergeStructs Plugin in text mode
- merging atomselection
- merging two pdb files
- merging two pdbs???
- Mesa libs + Mac OS X + HW stereo + vmd
- Mesa rendering
- Message from Chaitanya Krishna
- message in the console
- Metal-Metal distance
- Metal_Envornment Script
- methanol_solvent box
- method for user-defined coloring
- Method to measure DNA perterbation
- Micelles...
- Min. Image Convention after Translation & Rotation
- minimization changed the occupancy of all atoms to zero
- minimization command
- minimize during FEP & OS-FEP
- minimum distance b/w two atoms
- Mirror reflection
- Misfunction of some plugins if compiled
- 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 problem
- Missing bonds
- missing cell length on DCD
- missing fragments in molefacture
- missing frames in trajectory file
- Missing main menu
- missing operator at _@_in expression "$i _@_$n"
- missing RMSD tool in extensions menu
- 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
- MM/PBSA in VMD
- MMTools
- mmView - a tool for mmCIF exploration
- Model building questions
- model export
- model protein chain not displayed properly
- modelling phosphorylation
- Modelling program that does hydrogen adjust
- Modified DNA bases PDB files
- Modifying amino acid to a non-standard amino acid using VMD (proline to hydroxyproline)
- modifying mk3drame.tcl
- MOE and NAMD
- MOE discussion
- mol clipplane
- mol clipplane very slow
- mol files
- mol load and mol addfile
- Mol representation using coordinates
- mol urlload -- this doesn't seem to work in Windows (it does seem to work from Linux)
- mol volume
- Mol2 with Charmm atom types?
- Molden format plugin
- molden xyz movie
- molecular dipole moment
- Molecular Display component
- Molecular dynamics order parameters
- molecular dynamics problems
- molecular orientation
- molecular representation: new lead generation software
- Molecular ruler ?
- Molecular Simulation using PHANToM Haptic
- molecular surface/multiple trajectory files/the speed in animation
- molecule jumps from one site to the other?
- molecule orientation in saved state
- Molecule rotation
- molecule.write()
- molecules drifted away from the focus....
- molefacture "force tetrahedral" failure
- Molefacture "namehead" error
- Molefacture - VMD agreement
- Molefacture error
- molfile plugin and the NetCDF file format
- molfile reader plugin woes
- Molscript
- Molscripts
- monitor helicity change
- monitoring h bonds
- mono2poly question
- monomer transposes boundary box
- Monte Carlo conformational search
- 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
- motion correlation map
- Mouse behavior in VMD
- Mouse event listener
- mouse-move-rep in VMD 1.8
- mousing problem under OS X
- 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
- 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 in VMD
- movie maker plugin doesn't load
- 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 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 under Windows
- movies on a mac
- movies on mac os x (panther)
- Movies using Cygwin's ImageMagick?
- moving an atom in VMD
- moving by angle and measuring angle
- Moving domains in VMD
- 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 from VMD RMSD plugin.
- 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
- 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 peptides simulation
- Multiple residues at same position
- Multiple Sequence Alignment Extension
- Multiple Stream Files: What Order?
- multiple structure PDB files
- multiple topology files and resetpsf
- multiplot : integration of undrawing command (?)
- multiplot: control reaction for click on datapoints?
- Multiseq
- multiseq and fasta files from pdb
- multiseq doesn't respond to ctrl key correctly
- 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 question
- Multiseq refusing to load a structure due to taxonomy problem
- multiseq/stamp alignment of coiled coil bundle and homo-dimer
- multistructure XYZ
- mutate amino acid
- mutate by D-residues...
- Mutate nucleotides
- mutate residue
- Mutating a residue to a nonstandard amino acid
- Mutator plugin console
- mutator plugin generates extra bond for tip3
- Mutator Plugin Patching
- Mutator: Losing Chromophore
- my solution to the freezing problem.
- N-methylated amino acid topologies
- 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 callback command
- NAMD can't malloc() error
- namd CG minimization error: unable to find angle parameters for nxg nxx nxg
- NAMD constant pressure/temp advice
- NAMD Energy - Hexagonal Cell
- NAMD energy plugin
- namd energy plugin error: toplevel
- NAMD energy plugin question
- 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 problem (ReceiveDatagram: recv: Resource temporarily unavailable:)
- namd restraints question
- NAMD setup for organic compounds
- 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-I : Constraint failure in RATTLE algorithm for atom 268
- NAMD-L mailing list
- namd-l-outgoing2@halifax.ks.uiuc.edu
- 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: Aligning structures
- namd-l: Atom movement within a range of Z value
- 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: 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: Fwd: conf file for coarse grained simulation
- 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 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 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: is possible to remove the waterbox before running VMD
- namd-l: LYC Parameter-Topology ?
- namd-l: MMTools
- namd-l: Molecule drifts and high average RMSD per residue
- namd-l: molecule jumps from one site to the other?
- namd-l: NAMD ibverbs not working on new cluster
- 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: Parameter
- namd-l: psfgen tyrosine anion-Fe bond
- namd-l: ptraj
- namd-l: question from a tutorial
- 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: SASA of PBD files
- namd-l: script
- 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: 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: VMD Command
- namd-l: volume from VMD and NAMD different?
- namd-l: what does "patch" mean?
- namd-l: wrapping problem
- namd-l: Writing pdb file.. easier way?
- namd-l; question about psfgen (param for CT1?)
- namd2 unable to find bond.
- namd2.7b1, tip4p, and dummies
- NAMDEnergy
- NAMDENERGY analysis
- namdenergy and simulation with amber ff
- NAMDenergy calculation
- NAMDENERGY crashing repeatedly
- namdenergy missing for -dispdev none (vmd 1.8.6)
- NAMDEnergy Plugin
- NAMDenergy plugin_VMD_van der Waal interactions
- namdenergy problem
- 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
- namdplot 1.0
- Naming in XmGrace
- Nanopore simulation
- Nanotech Ventures 2005 - Tokyo & California
- Nanotube Simulations
- 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 convert when using VMD to make a movie under Mac
- 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 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 urgent help
- NetCDF plugin
- 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 BioCoRE server released
- New Cartoon representation problem
- new color scale
- new coordinates
- New crystallography plugin
- 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 problem
- New Release: Planetsweep Revolutionizes Internet Browsing
- New Sharp 3D Notebook Available with Linux
- New stage?
- New test version posted...
- new user animation question
- New User of VMD
- New user questions
- new user: how to load output file
- New version of CatDCD available
- 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 CVS tree location, update your aliases...
- New VMD development pages
- New VMD User's Guide available
- New vmd Windows version crash
- New VMD-L subject lines...
- newbie issues
- Newbie Questions
- NewCartoon and mol2 files
- NewCartoon not among Drawing methods
- 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
- No 'Primary File Type' in Load menu (v1.8a10 on MacOSX)
- No bonds
- no convergence in align
- No Display when running vmd 1.3
- no main window
- no main window with ATI openGL
- No prescr1ption? No problem!
- No sequence tool for DNA
- No stereo display support in Windows Vista...
- No stereo mode in vmd -dispdev none ??
- no subject
- 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
- Non-cuda version of VMD on Linux?
- Non-protein Multiple-Frame File
- Non-serious query
- non-standard residue
- 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 calculate bonds by default.
- not to display atoms in certain region
- 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
- Novint Falcon
- Novint Falcon in VMD - help with setup
- ntdll.dll problem when changing drawing methods
- ntermolecular atomselection
- Nucleic acid topology file for PSF generation
- 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 waters around a protein
- numbonds
- Numeric Library of Python for VMD 1.8.7
- numeric python
- numerical output for SURF?
- NuVision glasses
- nvidia 6106 kernel drivers and opengl
- nvidia driver
- nVidia Driver 7664 for Linux
- nvidia drivers and 64bit OS VMD/PYMOL
- NVidia GeForce 3D Vision
- NVidia GeForce issues on PCs (article URL)
- Nvidia graphics card with VMD
- NVidia OpenGL HOWTO for Linux users...
- 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
- obj export
- obscurity in sbcg tutorial description
- obtaining lists of bond, angle, and dihedral interactions
- 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
- OmpF biological unit
- On Cremer-Pople ring puckering
- On solvate plugin
- One more psfgen question
- One of a kind replicas
- one residue rmsd
- One Year written repl1ca w4tches warranty
- only one model is displayed
- only show some HBonds
- only vmd console
- opdating the selection during trajectory
- Open diff pdbs with diff # of atoms?
- opendx and vmd
- OpenGL cards for workstations
- OpenGL Display
- OpenGL Display slow/freeze
- 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 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 gromacs .gro file gives warning messsage and does not display the molecule
- opening VMD on OSX
- OpenSuSE 10.3: ppmtompeg and MovieMaker plugin
- Operations with MD frames - acquiring time infromation
- Oprah certified wieght loss solution Acai.Berri.
- order of atoms in an improper dihedral
- order parameter from trajectory
- Order Parameter Script for changing bilayer normal
- order parameters for long lipids
- Orientation an rotation of molecules in a movie
- orientation of hexahedrons parallelepipeds unit cells relative to x,y axes
- orientation of protein molecule
- Orienting a Protein
- orthographic views and size
- OS X intel binary problem
- 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 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
- Outline rendering style with Tachyon
- output
- output file format
- output of distances between atoms or coordinates
- Output of forces
- output of the ssrecalc command
- 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
- overlapping two structures
- overlay
- Overlaying 2 structures
- overlaying more than 2 molecules
- 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.
- Pair interaction calculation for large number different pairs
- pairInteraction and NAMDEnergy
- Pairwise RMSD
- pairwise rmsds in rmsdtt cvs1.9
- panel missing!
- parallel capabilities
- parallel rendering across clusters?
- parallel VMD
- Parameter
- parameter file for CHARMM
- parameter file for DAD
- Parameter file for protein siloxane interactions
- parameter files
- parameter tool tutorial
- Parameter-Topology-Repository
- Parameter/topology repository
- parameterization tool
- parameters file of POPC
- Parametrization of hydrogen sulfide
- ParaTool
- paratool - parameter generation from gaussian log files
- paratool ?
- Paratool Add/Edit Internal Coordinates window
- paratool and fatal error
- 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/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_domain error
- 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 parameters to a tcl script
- passive stereo projection using a Mac
- passive stereo setup on linux
- patch CT3 and ACE problems in PSFGEN
- Patch for deoxy and dideoxy nucleotides
- Patch for Three or More monomers
- patch in psfgen - ionic interaction and hydrogen bond
- Patching Glu/N-terminus peptide bond type bond
- Patchlet for MacOS 32/64-bit compilation
- 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 in water count
- pbc join
- PBC missed in Amber MD
- PBC Option With Solvate Tool
- PBC problem in gofr
- pbc unwrap not complete
- pbc wrap
- pbc wrap center on protein
- PBC wrap on hexagonal periodic cells
- pbc-box
- pbc: relation of orthonormalizing; cart. coords; rotation matrices.
- pbctools & Desmond trajectory with protein units 'jumping' into other cells
- 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 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
- pdb - generation
- PDB CONECT
- PDB COORDINATES
- 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 manipulation
- pdb naming convention
- pdb naming convention to get ribbon representation
- PDB Parser cannot interpret ^M ?
- pdb reader/writer appears to corrupt pdb output
- pdb structure off the web
- PDB to STL help needed
- pdbalias not working
- Pegasus Technologies FreeD drivers?
- People having plugin troubles, READ THIS
- peptide builder
- Per-frame 'graphics'?
- per-residue alignment
- Percentage Helicity calculation in VMD
- Periodic BC
- Periodic Bonding
- Periodic boundary conditions
- periodic boundary conditions (yes, i read the tutorials)
- Periodic box display feature suggestion
- periodic box image in tcl script
- periodic box lines
- periodic box manipulation
- periodic box manipulation (solution)
- Periodic builder?
- periodic display and space group and VMD
- Periodic display problem
- Periodic image and transformation matrix
- Periodic Images
- periodic images for trajectory
- periodic woes
- Perspective Ratio Problems
- PET force field & topolgy files
- Phantom and VMD
- Phantom Omni Haptic Device
- Phantom on Sgi?
- PhD position in Computational Structural Biology at MPI Muenster
- phi and psi information
- phi-psi plot
- Phonon spectrum and VACF
- Phosphate mass
- phosphorylation modelling
- pick atom id script
- 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
- Play at the world's leading online casino.....
- Playing part of a trajectory using TCL
- Please unsubscribe me from VMD mailing list
- please, give me a tip
- Please, help
- Plot a time line in the movie made with VMD
- plot color scale for volume slice
- plot residues without hydrogen atoms
- plot the box margins
- Plot the value of the current frame in the Progress Bar for elapsed Time
- Plotting elect. pot. surface
- Plotting Number of Hbonds and % Helicity with Time
- Plotting of Co-ordinates on VMD
- plotting on Mac
- 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 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 problem
- plugin problems
- plugin source tree
- Plugin testing
- 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 update
- Plugins use after compilation question
- Plugins...
- plugins/hesstrans/Makefile recurses on CXXFLAGS
- Plugins: plz add one more conversion to unit_conversion.h
- PME isosurface not superimposed on protein
- PME plugin
- PME units
- PME values
- PMEpot + bigDCD ?
- PMEpot units
- pmf calculation
- PMF vs distance plot from isosurface
- PNY Quadro4 980XGL Card
- polar coordinates
- polar surface area with VMD!
- polyethylene topology
- Polyhedra with two selections?
- polymer bead spring model file format
- Polymer Building in VMD
- 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
- POPE CHARMM36 generations error.
- POPS topology file
- pops/popc lipid bilayer
- porcupine plot
- porcupine plots for PC1
- Porcupine update
- 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
- positively charged portion of the protein surface
- Possible bug in freeing global selections
- Possible bug in LAMMPS 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 memory leak with pbc wrap
- Possible MPI code problem (and fix)
- Possible values for "select_method"?
- Postdoc position available...
- Postdoc position in computational biophysics and nanotehnology
- Postdoctoral positions in Australia
- Posting messages to VMD-L truncates the empty spaces in lines
- pot.dx file question
- Pot.dx files
- pot.dx question
- Potential map animation, help!
- Potential map display in VMD (GRASP)
- 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
- ppmtompeg
- PPMTOMPEG Quality
- pqr files----
- PQR parser failure in pqr plugin 0.5 and pqr plugin in latest alpha
- Prachi Singh's mail
- 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
- prepare initial structure
- preriodic box problem
- preserving atom index or hexadecimal residue numbers after writepdb
- Pressure and Gpressure output in NAMD
- Prest1ge Repl1cas ravishing repl1ca w4tches for you
- Prest1ge Repl1cas your source for high-quality w4tches
- Pretty Picture
- Principle Component Analysis of Protein PDB Structures
- Print and save DLPOLY HISTORY plots
- print numerical values in a Ramachandran plot
- print results to file
- Printing Coordinates with Tcl/Tk
- printing real 3D model using z-printer
- 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 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 compiling on redhat 7.0
- problem connecting namd/vmd using charmrun/charmd
- problem controlling orientation of the simulation box drawn by pbctools
- problem creating psf
- problem downloading VMD 1.8.6 source code
- problem during movie making
- Problem finding center of mass for all the frames
- Problem Fixed
- problem for saving as jpg file
- problem generating a psf of a solvated system using VMD
- problem generating NAD
- Problem generating PSF file for decalanine...any help?
- Problem generating psf file in psfgen
- problem in autoionize
- problem in extracting frame number
- Problem in finding the HBonds
- Problem in IMD with Compiled 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 minimization while running
- problem in overlapping atoms
- problem in reading .nc NETCDF FILE
- Problem in text mode
- problem in using "Automatic PSF Builder"
- problem in visualizing gaussian log file
- Problem installation on RedHat
- Problem installing on linux
- Problem installing vmd in UBUNTU 10.10
- problem loading dcd file
- 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 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 on making a movie
- problem on rmsdtt
- problem reading AMBER7 parm file
- problem regarding stride
- problem regarding the MC trajectory
- problem regarding timeline
- Problem rendering NewCartoon
- problem rendering NewCartoon with tachyon
- problem rendering traj file with tachyon
- problem running pgn script file
- Problem starting VMD with Fedora Core3
- Problem to find the number of frames of a trajectory
- problem to render .cms file
- 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 viewing cube files
- Problem vmd 1.9 plus Cave
- Problem vmd1.8.5 & vmd1.8.6 on a mac-pro running ubuntu
- problem when drawing a cylinder
- Problem when labeling atoms on machine with intel X4500HD integreted graphic card
- Problem when using VMD Python Library
- problem while integrating bigdcd into a namespace
- problem while running VMD
- problem with "animate delete all"
- Problem with "bigdcd"
- problem with "measure fit "
- problem with "within" command of 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 amber 6 restart files (parm and rst)
- problem with APBS pqr generation...
- Problem with autoionize ?
- problem with autopsf
- Problem with bigdcd
- problem with bigdcd rmsd calculaton output
- Problem with biotin autopsf
- problem with bitmap rendering
- Problem with bondsrecalc
- Problem with cartoon and secondary structure
- problem with catdcd
- Problem with cellBasisVector 1, 2 and 3
- problem with coloring surface by electrostatic potential
- problem with colouring the surface with electroststic potential
- 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 for loop.
- problem with generating movie from pdb files
- 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 instalation process
- Problem with Install
- problem with installation
- problem with installing VMD on a LINUX cluster
- problem with labels
- problem with loading trajectories in timline plugin
- Problem with loop. it s not going to the next peptide
- problem with measure command
- Problem with measuring dihedrals
- problem with memory
- Problem with Movie Maker
- Problem with moving protein for all frames
- problem with MSMS and VMD
- 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 pbc
- Problem with periodic condition
- problem with protein RMSD calculation due to incomplete wrapping of both peptide chains
- problem with psf file generation
- Problem with psfgen
- Problem With Psfgen again
- Problem with Reading Binary ccp4 File Generated by CHARMM
- problem with RMSD script
- problem with rmsd-fullthrottle
- 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 tcl script in text mode
- 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 tool command
- Problem with using bigdcd.tcl
- problem with vecsub, help with Tcl Script
- problem with viewing gromacs xtc files in vmd
- 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 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/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 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: 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 after installation (ubuntu 8.04)
- problems compiling vmd (1.8.1)
- problems displaying newcartoon representation
- Problems in setting up low pH systems
- problems loading dcd files
- Problems loading shared object, vmd1.8 linux mesa binaries
- Problems Opening Large .dx File
- 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 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 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 Charmm dcd
- Problems with color
- Problems with for loop
- Problems with graphics.color function under VMD's python interpreter
- problems with hotkeys and "user add key" command
- problems with large structures
- Problems with licorice representation when rendering 3D PDF for Power Point
- 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 mouse programming in VMD
- problems with MSMS
- Problems with NewCartoon Cartoon Representations
- Problems with Newcartoon representation
- 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 RMSD
- 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 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 under Linux
- problems with VMD under linux/64-bit machine
- process and plot matrix data
- PRODRG generated .gro file
- producing high quality video on Mac
- progports, new project
- 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
- properly applying patches to create DPPC
- property iterate over a range (representation / draw style)
- PROPKA doesn't work in recent VMD1.9.1
- protein breaks into parts after converting trajectory file to pdb file
- Protein cavities
- Protein coordinate rotation
- protein embedding membrane
- protein in membrane
- protein peptide alignment.
- Protein Reorientation
- protein surface and volume code
- Protein volume and cavityes
- Protein-ligand contact
- 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
- PSC WORKSHOP: COMPUTATIONAL BIOPHYSICS WORKSHOP
- psf and top
- psf file
- psf file for Doxorubicin
- psf file generation.?
- psf file generation: once again
- PSF files append!!
- psf for already hydrogen-added structure
- PSF for AMBER top + crd files
- psf for CNT?
- psf for protein
- psf format
- psf gen charmm format
- PSF Generation
- PSF generation for proteins with isopeptide bonds
- psf generation of circular proteins
- 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 1.4.7 and CMAP extended PSF
- psfgen 999 waters resname X column
- Psfgen : apply patches
- psfgen and DNA
- PSFGEN and Reading Bonds from PDB Files
- psfgen and xplor topology
- psfgen crashes VMD
- psfgen delatom usage
- psfgen deleting water molecules
- psfgen error with alias residue
- psfgen error: MOLECULE DESTROYED BY FATAL ERROR
- psfgen failure
- psfgen for lipid
- psfgen for protein-RNA complex
- psfgen generates 0 atom .psf file
- PSFGEN NAD spilts up in 3
- psfgen or autopsf
- psfgen plugin
- psfgen problem
- PSFGEN problem with URA residues
- psfgen problems?
- psfgen probs
- psfgen question
- psfgen script for VMD 1.8.7
- psfgen tyrosine anion-Fe bond
- PSFGEN vs. VMD
- psfgen vs. x-plor
- psfgen woes...
- 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::: ERROR: failed on end of segment
- PSFGEN:buiding an uncharged protein
- ptraj
- public VMD cvs server
- Pucker parameters
- purple bacteria and psfgen
- puts format
- putting a set of selections in a list or an array
- putting Lipid layers around a protein
- 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 and C++ extensions
- Python and numpy
- python and vmd
- python callback!!!!
- python callbacks
- Python callbacks in VMD
- python can't find math module
- 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 pro.align()
- python question
- python question 2
- python script of atomsel expression
- python support and pipes in vmd
- python vmd interface
- Python's future in VMD
- Python, Numeric, and Mac OS X problem
- Python, numpy, and so on ....
- 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
- pytjhon
- q4md-forcefieldtools.org announcement
- Q: Compiling VMD on IRIX 6.5
- Q: MO visualisation
- Q:selection of atoms on the surface of a molecule
- QM Geometry optimization
- QM_plugin_force_constants
- qpt_conv command of Hole is interactive, how to automate it for multiple frames?
- QR factorization for structural alignment
- qsub (torque/maui) and vmd
- Qtight=22?= selection
- Quadro 750 XGL problem
- Quadro FX1800 , Stereo and VMD
- quality rendering
- Quantitative meaning of volmap isosurface
- Queries on making polymer
- Querry
- Query
- query about "ViewChangeRender" plugin
- Query Fields
- query regarding membrane building
- Query regarding RMSD calculcation
- 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 atomselect and periodic condition
- Question about autopsf
- question about Ca-dist.tcl
- Question about dihedral angles in VMD.
- question about electrostatic map visualizing
- question about electrostatic potential maps
- Question about eval
- Question about geometrical figures
- question about gofr
- Question about Gromacs box size in VMD.....
- 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 contacts
- Question about measure gofr
- Question about overlaying structures
- question about periodicity
- Question about PSF generation
- question about psfgen
- Question about Python and Mac osx
- Question about RDF of VMD
- Question about rendering across multiple frames
- question about rendering images
- Question about RMSD calculator
- question about rotations
- 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 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 namdenergy.tcl with vmd -dispdev text -e *.tcl
- Question about using psfgen on protein 4HVP
- Question about vdW-area
- question about visualization
- question about vmd use
- Question about vrpn server build for using Phantom with VMD
- question about water sphere script
- 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 ion size
- question on prmtop & prmcrd from leap (amber)
- question on resname
- question on spin density
- question on vmd installation
- Question regarding g(r) utility
- question regarding H-bond calculation
- Question regarding HBond analysis
- Question Regarding PME Set-up
- Question Regarding User-Defined Trajectories
- 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
- questions
- questions about developing a plugin
- questions about MSMS and H-bonds
- questions about RBCG
- questions about the electron density map
- Questions about trajectory files obtained from LAMMPS Molecular dynamics with Reax Force field
- Questions abt VMD plugins
- questions for 1.8.4
- Questions on VMD
- questions relating to VolMapTool
- quick help
- Quick question about 3-letter codes for positive residues
- Quick TCl scripting question
- quick-surf and throb
- quicksurf and PBC
- quicktime/mpeg movies
- Quite confused with Movie Maker
- quitting VMD
- 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
- Radeon FireGL drivers crash VMD
- Radial Density
- radial density over one frame
- radial distribution
- radial distribution function
- radial distribution function and number integrals
- 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: molecule/water?
- radial pair distribution problems
- radius of gyration
- radius of gyration units
- radius of the curvature
- Rainbow color scheme for VolumeSlice / Volume
- Rama plot
- Ramachandran Map of 2 pdbs
- Ramachandran plot
- Ramachandran plot tcl script
- ramaplot
- random graphics outages on startup
- rasmol script
- raster3d
- Raytracing with tachyon/povray because of pb with raster3d
- RBCG bead diameter
- RBCG Model
- RDF and Coordination Number
- RDF calculation
- RDF calculation for production steps
- RDF calculations
- rdf curve
- rdf for big systems
- rdf for specific group of atoms
- Rdf from a specific point
- rdf plugin in vmd 1.85
- RDF related problems
- rdf using gui
- RDF.tcl
- rdf.tcl one more time
- RDFs etc
- RDFs, TCFs etc.
- Re : ellipsoidal particles
- RE : Get the camera position
- 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 :psfgen question
- Re PSF file generation
- re-centering view/rotation axes
- Re-create Figures in VMD Images and Movies Tutorial
- Re2: ERROR: graphics: color index value '1057' out of range
- Read dcd file error using vmd1.8.5 for windows
- Read support for CHARMM binary coordinate file?
- read the pdb file using 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 box info. from PQR file
- reading charmm files
- reading cmap wih vmd
- reading cube files
- reading DLPoly VMD 1.8.4
- Reading GOLD .sdf output files
- Reading in a MOL2 file
- 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 with extended atom types
- reading structure *.xyz
- Reading the SMD information form the log file
- reading/writing
- reagsrding writemol2
- Real Cash, Real Profit....Believe it !!!
- real coordinates
- Real-time ambient occlusion lighting
- 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 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 TCL variables in a matrix argument
- Recompile VMD with larger index types
- reconstructing PMF
- Reconstruction of XST data from DCD data
- record changed {x y z}
- redefining macros vs. update of selections
- redhat linux vmd
- redirecting to output
- reference about structure
- Reference for SASA
- Reference to SASA calculation in VMD
- Refreshing the screen
- Reg: BABEL
- Reg: General question!
- Reg: No. of Frames
- Reg:Babel
- regarding 1ORQ.pdb
- Regarding APBS calculation in VMD
- Regarding com file error
- Regarding coordinates transformation
- regarding counting water molecules
- regarding draw_arrow.tcl
- regarding fit_angle.tcl
- Regarding fitframes.tcl
- regarding generating movie
- regarding installation
- regarding merging of protein and a ligand
- Regarding merging of two files
- Regarding paratool
- Regarding paratool, assign atom types
- regarding positioning of protein molecule
- regarding rotating dihedral
- Regarding saving data
- regarding selecting complete residues within a distance
- Regarding the Use of STL Files as Boundary Features
- regarding writemol2
- 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
- Remote Control
- remote control (fifo/socket) ?
- Remote control of VMD on SGI-NT mixture
- remote display
- remote_ctl.tcl: VMD's stdout -> socket ?
- Remove PBC
- remove water
- removed all proton in protein with vmd
- removing all water molecules
- Removing perspective projection at startup
- removing residues/fragments from the system
- removing structures from a psf&pdb
- removing surrounding water molecules
- removing unwanted residues
- Removing water in tcl
- removing water molecules
- removing waters (gramicidin example)
- Renaming Molecule Names in existing .xyz trajectory files
- render
- render "color by volume"
- Render alpha-carbon trace as cartoon
- Render command not executed
- RENDER ISSUES
- render question
- Render Snapshot from the Tcl console (jpg gif format)
- 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
- Rendering
- Rendering .dat files created from Movie Maker using Tachyon
- Rendering electrostatic surface potentials using Tachyon
- rendering from VMD
- rendering high resolution images
- Rendering Labels with Tachyon
- Rendering long and high-quality movies from VMD
- Rendering of screen/display different
- Rendering polyhedra with POV-Ray
- Rendering problem
- rendering problems
- rendering question
- Rendering surfaces from PLT files
- rendering time bars or other vmd added graphics with povray
- rendering transparent objects
- rendering.....
- renderman output?
- rending softwares for win98
- Rending to png format using tachyon or otherwise ?
- renumbering residues
- renumbering residues after deletion of atoms
- repitition of residue numbers in LIPIDS
- replace molecule?
- Replacing DPPC with DPPS
- Replica Exchange
- Replica exchange molecular dynamics (REMD)
- Replica watch is a perfect gift
- Replica watches make great gifts
- replication of bilayer
- reply
- reporting various NVidia driver bugs...
- Represent custom peptide as ribbon?
- represent water molecules
- representation ColorID in Tcl
- Representation problem
- representation question
- representation selection funnies
- representation using COM
- representation_problem
- Representing disulfide bonds when using psfgen
- request ability to append in CatDCD (and NAMD)
- Request for change in gaussian cube reader
- Request for information
- request help about hbond
- request to know about bonds in between carbon atoms in carbon nanotubes
- Required Assistance for VMD
- Res: Res: webpdb load problem
- RES: uNABLE TO OPEN VMD ON WINDOWS 2K
- Res: webpdb load problem
- ResdueType and hydrophobicity scale
- Research Position Openings
- resid color
- resid le 250
- resid of water that is hydrogen bonded
- residence time
- residue based CG model
- Residue highlighting in MD Traj
- residue index problem
- 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 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-residue distances and atom selection bug
- residue_rmsd.tcl
- Resize window from TCL
- resolution for previous message
- Resolution of movie?
- resolution screen in Linux
- resolving side chain clashes
- Resonable visualisation of the molecules inside the periodic box ?
- restart simulation with NAMD
- Restarting a simulation $ Langevin
- Restraints on coarse grained model
- ResType Color
- 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
- Reverse Mapping of RBCG Model
- 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
- RE Q?= use gelato render with VMD 1.8.7 for movie
- rgb to mpg
- RGB values...
- rgyr calculation problem
- ribbon representation
- ribbon representation :: VRML
- ribbons representation for RNA in vmd 1.8.5
- right alignment for numbers in color bar
- rlwrap bug in Ubuntu
- rlwrap problem on
- 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 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 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 not fitted region
- rmsd option in timeline
- RMSD or RMSF value
- rmsd per residue
- 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 plugin
- rmsf
- RMSF ?
- RMSF and bigdcd
- RMSF calculation
- RMSF calculation question:
- RMSF calculation: residue wise
- rmsf calculations
- RMSF measurement
- rmsf to b-factor conversion
- RMSF value of a group of atoms
- 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 atomic coordinates?
- rotate dihedral angle
- Rotate dx map
- Rotatind a chain (some further Qs)
- Rotatind a chainn
- Rotating a molecule around its center of mass...
- 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 to align
- RPM spec file
- RSMD of coarse grained molecules
- 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 a script
- Running a script using text mode
- Running a vmd tcl script in the background
- running ca-dist.tcl
- running ILS under Windows 7
- Running IMD interactivelly under the shell
- running LAMMPS output via VMD
- Running Namd in Window
- running namd2 on Mac PPC cluster
- running plugin from the command line
- Running Python within VMD
- running simulation on dual core processor
- running under Shell using VMD
- RUNNING VMD
- running vmd as pbs job
- Running VMD from the terminal on MacBook Pro
- running vmd in batch mode
- running vmd in parallel
- 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?
- Réf. : calculate rmsd in a loop:feedback [sorry if you get it twice]
- s-s bond in vmd not visualized
- Salt bridges
- Salt brigde
- saltbr plugging problem: too many open files
- saltbr# vs. frames
- Same pdb file, different image
- same view in VMD and Molscript
- SAS values for a residue
- sasa
- SASA -tcl script
- SASA and SESA
- sasa by residue
- SASA calculation
- SASA calculation (protein + small molecules)
- SASA calculation for a trajectory
- SASA calculation using periodic images?
- 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 coor coordinates as pdb
- save coordinate POSCAR
- 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 psf
- save selected residues
- Save State Fails
- Save state miss some parameters !
- save states with relative directory structure
- Save thousands... no one will know
- Save/restore display parameters
- save_state
- Save_state and Load_state
- saving a GMX trajectory using tcl script
- 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 work in VMD--this seems ridiculously difficult!
- sball.h not found
- SBCG membrane
- sbcg with multimers
- scale trajectory coords
- scan interleaved stereo on Zalman M220W monitor
- Screen corruption
- screen size
- script
- 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 counting water molecules
- script for cutting box
- script for generating stereo postscript images
- script for mapping the electrostatic potential from APBS on surfaces
- script for multiple structure superimposition?
- script for projection of c-alpha atom cordinates on xy plane
- script hangs when use full dcd file
- script no reading correct number of frames
- script problem
- script that reacts on movement of frameslider in vmd main
- script to calculate molecular surface area
- script to change representaiton
- 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 problem with h-bond listing
- 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 unwrap PBC from REMD trajectory
- scrolling up in vmd console
- search path and naming conventions for custom TCL scripts
- Searching for Number of Resname
- Secondary structure
- Secondary Structure along a trajectory
- Secondary structure assignment
- secondary structure assingnment
- secondary structure calculation
- 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 of alkane polymers
- Secondary Structure Stays at the last frame
- secondary structure update
- Secondary structure with Timeline
- secondary structure's display - problem
- secondary_struct script
- seeing ions
- 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 on linux Fedora 11
- Segmentation fault when trying to load GROMACS trajectories
- segmentation fault with NAMDenergy
- select atoms
- select atoms between molecules
- Select atoms using coordinates
- select cylindrical slab
- select each element of array
- Select non-redundant set using struture Qr not working
- select only border of the water box
- select whole residues
- select within distance range
- Selected angles during build?
- Selecting a laptop for VMD and NAMD
- Selecting a laptop for VMD and NAMD (was: CUDA cores seen by VMD on GT540M)
- Selecting AMBER ions Cl- and Na+ using VMD
- Selecting Atomnumber
- selecting atoms
- Selecting atoms based on 'type' with LAMMPS + PSF
- Selecting atoms that have real SASA greater than 0, Not using "Surface"
- Selecting Atoms within a Volume, Manipulating Volumetric Data
- 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 frames from trajectory
- selecting from different molecules simultaneously
- Selecting multiple ranges
- selecting protein + water shell
- Selecting residues by number
- selecting ribose atoms?
- selecting set of residue
- Selecting some atoms and changing the color of them
- 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
- selection
- Selection "@myselection"
- Selection "within x of something" is not updated throughout DCD trajectory?
- selection and coloring
- Selection basing on the number of hydrogen bonds
- selection by residue
- selection for polar hydrogens only
- selection in different pcb images
- Selection in VMD Graphical representation
- 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 residues in a trajectory
- selection of sugars with VMD
- Selection problem on TkCon
- selection question
- selection syntax
- Selection tool
- selection update
- Selection within VMD
- Selections based on "bonded to"
- Selections in periodic boxes
- Self Assembled Monolayer
- self-coeeficient diffusion
- 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 a different beta field for each frame of trajectory
- setbonds
- setenv: Too many arguments
- Setting colors
- Setting default viewing window location in XP
- setting different bond length for different atom pair
- setting different colors
- Setting modstyle volumeslice options via tk console
- Setting number of water molecules for the given box dimension
- Setting the speed of rotation
- setting unit cell dimensions
- 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
- shake vs. rigidbonds
- SHAKE/namd
- sharing atoms
- Sharp 3D stereo monitors
- shifting of the origin
- shifting the origin of the box
- Show a movie from one static structure to another in VMD?
- show atom number in xyz file
