NAMD-L: By Author
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Starting: Mon Jan 02 2012 - 00:44:43 CST
Ending: Tue Dec 31 2013 - 11:28:27 CST
- Aaron Cann
- Aaron Oakley
- Abir Ganguly
- Re: use of colvars to restrain the absolute positions of all atoms in a large system (Wed Jul 10 2013 - 12:11:10 CDT)
- Achani K. Yatawara
- Ada Zhan
- Adam Skelton
- Adebayo Adeleke via LinkedIn
- Adeleke Adebayo Abayomi
- Aditya Ranganathan
- Extent of Sampling possible using classical all-atom MD Simulations (Tue Oct 01 2013 - 08:22:42 CDT)
- Re: Percentage of Residues in Ramachandran Plot regions versus time of trajectory (Tue Jan 29 2013 - 09:51:31 CST)
- Re: Percentage of Residues in Ramachandran Plot regions versus time of trajectory (Tue Jan 29 2013 - 04:14:57 CST)
- Adrian
- adrian palacios
- Ajasja Ljubetič
- Re: Membrane/peptide system. Water moving from one layer to the other ... (Wed Oct 23 2013 - 07:30:36 CDT)
- Re: Can a small langevinDamping coefficient lead to 'ERROR: atoms moving too fast'? (Mon Aug 26 2013 - 08:49:08 CDT)
- Re: Potential of mean force calculation using colvars in NADM 2.9 package (Fri May 17 2013 - 09:41:40 CDT)
- Re: Are random forces applied at every step (when using the langevin thermostat) ? (Tue Apr 30 2013 - 10:48:46 CDT)
- Are random forces applied at every step (when using the langevin thermostat) ? (Fri Apr 26 2013 - 15:21:56 CDT)
- Re: dump specific atom positions into a txt file during the simulation (Fri Aug 31 2012 - 03:44:42 CDT)
- Re: Atoms Gone Missing after Generalized Born Implicit Solvent Equilibration (Mon Jul 16 2012 - 01:25:10 CDT)
- Re: Trouble using rotateReference, centerRefrence and refPositionsGroup in the colvar module (Thu Feb 09 2012 - 12:05:19 CST)
- Re: Trouble using rotateReference, centerRefrence and refPositionsGroup in the colvar module (Mon Feb 06 2012 - 16:55:26 CST)
- Re: Trouble using rotateReference, centerRefrence and refPositionsGroup in the colvar module (Mon Feb 06 2012 - 15:04:56 CST)
- Re: Trouble using rotateReference, centerRefrence and refPositionsGroup in the colvar module (Thu Feb 02 2012 - 09:06:37 CST)
- Re: Trouble using rotateReference, centerRefrence and refPositionsGroup in the colvar module (Wed Feb 01 2012 - 03:44:26 CST)
- Ajith Rathnaweera Rajapaksha Mudalige
- Ake Sandgren
- Aksimentiev, Oleksii
- Albert
- Albrecht Goez
- Alessandro Mascioni
- Alex Smith
- Alex Utev (CMP)
- Alexander Predeus
- Ali Ghaffaari
- Ali Khanlarkhani
- Alireza Mansouri
- Alisha \
- Aman
- amin_at_imtech.res.in
- amit banerjee
- amit majhi
- Ana Celia Vila Verde
- anaome_at_fundp.ac.be
- andrea spitaleri
- Andreas Frster
- Andrei Tudor
- Andrew DeYoung
- Andrew Emerson
- Andrew Miglino
- Andrew Pearson
- Andrey
- Anilkumar Naik
- Anirban Ghosh
- Anna Chailyan
- Re: Reason: FATAL ERROR: DIDN'T FIND vdW PARAMETER FOR ATOM TYPE OT (Thu Sep 19 2013 - 08:40:58 CDT)
- Anna Gorska
- Anurag Sethi
- Anurag Sharma
- aravind chandrasekaran
- Arman Imen
- Aron Broom
- Re: How to optimize parameters in command for NAMD CUDA GPU MD calculations? (Thu Sep 12 2013 - 15:41:50 CDT)
- Re: Using negatively charged phopspholipids and no neutralization, membrane expands in the xy direction ....... (Wed Jul 24 2013 - 12:03:47 CDT)
- Re: use of colvars to restrain the absolute positions of all atoms in a large system (Tue Jul 09 2013 - 17:18:35 CDT)
- Re: about interaction between protein and its image in namd simulation (Tue Jul 09 2013 - 13:10:50 CDT)
- Re: Slow vacuum/GBIS simulations (time to completion keeps increasing) (Wed Jul 03 2013 - 07:40:54 CDT)
- Re: Slow vacuum/GBIS simulations (time to completion keeps increasing) (Wed Jul 03 2013 - 06:12:30 CDT)
- Re: Slow vacuum/GBIS simulations (time to completion keeps increasing) (Tue Jul 02 2013 - 13:10:49 CDT)
- Re: Slow vacuum/GBIS simulations (time to completion keeps increasing) (Tue Jul 02 2013 - 12:45:17 CDT)
- Re: Shift (or offset) of the lipid bilayer along Z axis during equilibration (Fri Jun 07 2013 - 20:56:46 CDT)
- Re: how to do a vacuum minimization without electrostatics and periodic boundary conditions? (Wed Jun 05 2013 - 10:47:48 CDT)
- Re: Help with "ERROR: Constraint failure in RATTLE algorithm for atom XXXX!" (Mon May 20 2013 - 21:38:01 CDT)
- Re: Help with "ERROR: Constraint failure in RATTLE algorithm for atom XXXX!" (Mon May 20 2013 - 14:07:56 CDT)
- Re: Help with "ERROR: Constraint failure in RATTLE algorithm for atom XXXX!" (Mon May 20 2013 - 11:16:35 CDT)
- Re: Potential of mean force calculation using colvars in NADM 2.9 package (Thu May 16 2013 - 07:55:46 CDT)
- Re: Unexplained segmentation faults in NAMD 2.9 using CUDA and GBIS (Thu Nov 29 2012 - 17:01:23 CST)
- Re: metadynamics/ABF simulations using collective variables - issues with restarting the calculations (Tue Nov 13 2012 - 13:58:29 CST)
- Re: metadynamics/ABF simulations using collective variables - issues with restarting the calculations (Tue Nov 13 2012 - 10:47:52 CST)
- Re: FATAL ERROR: CUDA error in cudaGetDeviceCount on Pe 0 (thomasASUS): CUDA driver version is insufficient for CUDA runtime version (Mon Oct 22 2012 - 10:10:54 CDT)
- Re: NAMD (and VMD) fail to read simple AMBER prmtop file (and it's not the SCEE and SCNB flags) (Sun Oct 21 2012 - 18:37:56 CDT)
- Re: using colvar for umbrella sampling between two carbon nanotubes in aqueous dispersion (Thu Sep 20 2012 - 12:58:35 CDT)
- Re: Atoms Gone Missing after Generalized Born Implicit Solvent Equilibration (Mon Jul 16 2012 - 16:59:22 CDT)
- Re: Atoms Gone Missing after Generalized Born Implicit Solvent Equilibration (Mon Jul 16 2012 - 16:27:34 CDT)
- Re: Atoms Gone Missing after Generalized Born Implicit Solvent Equilibration (Sun Jul 15 2012 - 20:31:26 CDT)
- Re: running simulations on different machines with different versions of NAMD (Fri Jun 15 2012 - 05:38:20 CDT)
- Re: rigidBonds water and langevinHydrogen off are INCOMPATIBLE when using a solute with hdyrogens (Fri Mar 02 2012 - 10:51:16 CST)
- Re: rigidBonds water and langevinHydrogen off are INCOMPATIBLE when using a solute with hdyrogens (Thu Mar 01 2012 - 15:06:29 CST)
- Re: what restraint can I use to prevent membrane diffusion on the Z-axis? (Wed Feb 29 2012 - 16:46:05 CST)
- rigidBonds water and langevinHydrogen off are INCOMPATIBLE when using a solute with hdyrogens (Tue Feb 28 2012 - 21:58:25 CST)
- Re: what restraint can I use to prevent membrane diffusion on the Z-axis? (Tue Feb 28 2012 - 16:46:23 CST)
- arpita agarwal
- Artem Zhmurov
- Arturas
- Asaf Farhi
- Ashley Chew
- Ashwin C.V.
- Atanu Maity
- Athanassios Stavrakoudis
- Austin B. Yongye
- Axel Kohlmeyer
- Re: 50% system CPU usage when parallel running NAMD on Rocks cluster (Wed Dec 18 2013 - 07:04:24 CST)
- Re: 50% system CPU usage when parallel running NAMD on Rocks cluster (Wed Dec 18 2013 - 01:28:34 CST)
- Approaching Deadline December 1st 2013 - Advanced LAMMPS and Scientific Software Development Workshop at ICTP in March 2014 (Tue Nov 19 2013 - 03:46:45 CST)
- Re: NAMD 2.9 install on CLuster mpirun/charmrun with ibverb version ? (Thu Nov 14 2013 - 06:52:52 CST)
- Re: Re: Using volmap to calculate the water density around certain residues (Mon Nov 04 2013 - 02:32:22 CST)
- Re: ERROR: Could not translate the value....into a Vector for the option 'cellOrigin' (Mon Jul 15 2013 - 16:25:22 CDT)
- Re: Slow vacuum/GBIS simulations (time to completion keeps increasing) (Wed Jul 03 2013 - 06:19:36 CDT)
- Re: How to converse Coarse-Grained structure into all-atom structure (Mon May 06 2013 - 05:09:01 CDT)
- Re: Can protein-water interaction be turned off keeping protein-protein and water-water interactions intact? (Tue Mar 19 2013 - 01:15:42 CDT)
- Re: Can protein-water interaction be turned off keeping protein-protein and water-water interactions intact? (Tue Mar 19 2013 - 00:04:12 CDT)
- Re: Effect of phi, psi cross term map (CMAP) correction on result of MD simulation (Wed Mar 13 2013 - 04:20:08 CDT)
- using stackexchange was: Re: unsubscriber e-mail office pool anybody? (Thu Mar 07 2013 - 03:04:16 CST)
- Re: Single point energy calc with gaussian/namd... log file interpretation (Sat Feb 23 2013 - 02:30:10 CST)
- Re: connect a spring between all the atoms present in pdb structure (Sat Aug 04 2012 - 13:21:27 CDT)
- Re: vmd-l: connect a spring between all the atoms present in pdb structure (Sat Aug 04 2012 - 13:20:05 CDT)
- Re: Atoms Gone Missing after Generalized Born Implicit Solvent Equilibration (Mon Jul 16 2012 - 15:46:51 CDT)
- Re: Simultaneous calculation on CPU-only nodes and CPU/GPU node (with or without rCUDA) (Mon May 28 2012 - 17:19:42 CDT)
- Re: Simultaneous calculation on CPU-only nodes and CPU/GPU node (with or without rCUDA) (Mon May 28 2012 - 14:58:53 CDT)
- Re: Simultaneous calculation on CPU-only nodes and CPU/GPU node (with or without rCUDA) (Fri May 25 2012 - 05:39:37 CDT)
- Re: Sufficiently large values for 'firsttimestep' can lead to immediate simulation abort. (Sun Apr 08 2012 - 12:38:10 CDT)
- Re: what restraint can I use to prevent membrane diffusion on the Z-axis? (Wed Feb 29 2012 - 16:53:59 CST)
- AYSEGUL TURUPCU
- B Hartzoulakis
- Bachir Aoun
- Badoo
- Bala subramanian
- baogen duan
- Basak Isin
- Beaven, Andrew
- Behnam Rasti
- Benjamin Bouvier
- Benjamin Hill
- Benjamin Merget
- Re: GPUs silently stop working during simulation when oversubscribed (Thu Feb 28 2013 - 04:04:30 CST)
- Re: Simultaneous calculation on CPU-only nodes and CPU/GPU node (with or without rCUDA) (Sun May 27 2012 - 09:10:59 CDT)
- Bennion, Brian
- bharat gupta
- Bhupender Thakur
- Bikan Tan
- Bin Zhang
- bishop_at_latech.edu
- Bjoern Olausson
- Blake Mertz
- bond.james
- Boyang Wang
- Re: Using TCLforces to rescale force(s) on particular atom(s) --- loadtotalforces, addforce and previous/current timestep issue (Thu Jan 19 2012 - 17:45:41 CST)
- Re: surfaceTensionTarget - Surface Tension per interface or per bilayer (Wed Jan 11 2012 - 08:30:17 CST)
- Branko
- Brett T. Hannigan
- Bruno Lus Pinto de Oliveira
- Bryan Roessler
- Buddhadev Maiti
- buksanbio_at_gmail.com
- Burgess, Don E
- c jepson
- Cade Markegard
- Caitlin Scott
- candy deck
- Carlos Navarrro Retamal
- Carlos Sosa
- Cat Chenal
- Cesar Millan
- Chan Tabris C
- chang
- Charles McAnany
- Chiara Cosenza unina
- Chiara.cosenza
- chipot
- Chris Chipot
- Re: BAR-estimator error of ParseFEP plugin version 1.5 in VMD 1.9.1 (Tue May 07 2013 - 00:44:08 CDT)
- Re: How to use ParseFEP plugin to carry out FEP analysis for several forward and backward *.fepout files when lambda is from 0 to 1 (Sun May 05 2013 - 02:44:48 CDT)
- Chris Harrison
- Re: FATAL ERROR: CUDA error in cudaGetDeviceCount on Pe 0 (thomasASUS): CUDA driver version is insufficient for CUDA runtime version (Sat Sep 22 2012 - 10:23:16 CDT)
- Re: FATAL ERROR: CUDA error in cudaGetDeviceCount on Pe 0 (thomasASUS): CUDA driver version is insufficient for CUDA runtime version (Sat Sep 22 2012 - 09:03:42 CDT)
- Re: FATAL ERROR: CUDA error in cudaGetDeviceCount on Pe 0 (thomasASUS): CUDA driver version is insufficient for CUDA runtime version (Sat Sep 22 2012 - 07:56:34 CDT)
- Re: Need help preventing hydration of the lipid-protein interface in my system (Thu May 03 2012 - 18:31:50 CDT)
- Re: what restraint can I use to prevent membrane diffusion on the Z-axis? (Sat Feb 25 2012 - 11:59:43 CST)
- chris liopiri
- Christopher Neale
- Christopher Rowley
- Christopher Von Bargen
- Clayton
- Cloud Computing
- Cobalto Tetracloruro
- Corey Fugate
- Re: Help with "ERROR: Constraint failure in RATTLE algorithm for atom XXXX!" (Mon May 20 2013 - 17:28:21 CDT)
- Cosseddu, Salvatore
- Cristhian Boetsch
- Cruz-Chu Eduardo Roberto
- DAI, JIAN
- Dale l. Schruben
- Damin Montaldo
- Daniel Abergel
- Daniele Gentili
- David Brandon
- Computational Biophysics Workshop using NAMD and VMD, November 18-22, 2013, Urbana, Illinois, USA (Fri Aug 23 2013 - 14:07:30 CDT)
- Workshop on GPU Programming for Molecular Modeling, August 2-4, 2013, in Urbana, Illinois (Tue Jun 11 2013 - 17:41:43 CDT)
- David Cohen-Tanugi
- David Hardy
- Re: src/ComputeNonbondedCUDA.C:1022: error: thread-local storage not supported for this target (Wed Jan 16 2013 - 11:07:48 CST)
- David Huggins
- David Minh
- David Rogers
- David Tanner
- davide branduardi
- dayanidhi mohanta
- dbaogen
- How to use ParseFEP plugin to carry out FEP analysis for several forward and backward *.fepout files when lambda is from 0 to 1 (Sat May 04 2013 - 02:23:19 CDT)
- unrecognizable code in the output file of ParseFEP analysis in VMD 1.9.1 under the Linux system (Sun Apr 28 2013 - 03:11:52 CDT)
- Effect of phi, psi cross term map (CMAP) correction on result of MD simulation (Wed Mar 13 2013 - 04:13:42 CDT)
- DENILSON FERREIRA DE OLIVEIRA
- Dennis Lam
- Devang Jane
- Devang Sachdev
- Dhiraj Srivastava
- Dmitry Osolodkin
- Dong Luo
- dongsheng lei
- Dr. Eddie
- dream
- Eduard Schreiner
- Edward Lyman
- Ehsan Ban
- Elif Ozkirimli
- Emilia Wu
- eprates_at_iqm.unicamp.br
- Re: AW: AW: AW: Martini RBCG simulation frequently crashing with "atoms moving too fast" (Wed Nov 06 2013 - 11:17:19 CST)
- Re: AW: AW: Martini RBCG simulation frequently crashing with "atoms moving too fast" (Mon Nov 04 2013 - 09:59:14 CST)
- Re: AW: Martini RBCG simulation frequently crashing with "atoms moving too fast" (Mon Nov 04 2013 - 08:42:53 CST)
- Eric H. Lee
- Eric Hill
- Eric Lang
- Ernesto Vargas
- Eudes Fileti
- Eun Kim
- Evgeny Bulat
- Fabien Archambault
- Fabien Cailliez
- Family Xu
- farzad kiani
- Felipe Merino
- felmerino_at_uchile.cl
- FIDAN SUMBUL
- flavio seixas
- Florian Mrugalla
- forough askari
- francesco oteri
- Francesco Pietra
- Does stray PME charges with T-REMD mean insufficient resources and can explicit water abandoned for implicit GB? (Wed Sep 11 2013 - 09:24:59 CDT)
- Re: Stray PME grid charges on increasing number of replicas and T-range with T-REMD (Tue Sep 10 2013 - 11:34:58 CDT)
- Fwd: Stray PME grid charges on increasing number of replicas and T-range with T-REMD (Tue Sep 10 2013 - 05:33:03 CDT)
- Stray PME grid charges on increasing number of replicas and T-range with T-REMD (Tue Sep 10 2013 - 05:24:58 CDT)
- Alchemical protein transformation with a group of (non proteic) atoms bound to two amino acids (Mon Aug 06 2012 - 02:36:47 CDT)
- Re: Re: vmd-l: FFTK VMD plugin issue (arising from VECSCALE TCL issues of either NAMD or VMD ?) (Tue Jun 05 2012 - 12:54:05 CDT)
- FFTK VMD plugin issue (arising from VECSCALE TCL issues of either NAMD or VMD ?) (Tue Jun 05 2012 - 02:16:40 CDT)
- Re: Simultaneous calculation on CPU-only nodes and CPU/GPU node (with or without rCUDA) (Tue May 29 2012 - 00:10:08 CDT)
- Frank Haverkort
- Frank Thommen
- Frederik Heurlin Aidt
- Fugui
- Fugui
- FX
- Re: Fixing Langevin piston to allow off-diagonal stress (and why does the source say "FIX THIS"?) (Wed Mar 06 2013 - 16:36:04 CST)
- FyD
- gaborekt_at_duq.edu
- Gabriel Jara
- GALLY Jose Manuel
- Ganesh Kamath
- Ganesh Shahane
- Gareth Price
- Gareth Shannon
- Geoffrey Kwai Wai Kong
- George M Giambasu
- George Patargias
- Gergely Gyimesi
- Germn Andrs Mio
- Giacomo Fiorin
- Re: ABF: Distances in colvars.traj not identical with VMD exported distances (Tue Oct 29 2013 - 09:33:36 CDT)
- Re: ABF: Distances in colvars.traj not identical with VMD exported distances (Mon Oct 28 2013 - 16:28:15 CDT)
- Re: How I can to change the force field function in NAMD for protein phi-value analysis (Mon Oct 07 2013 - 08:30:34 CDT)
- Re: use of colvars to restrain the absolute positions of all atoms in a large system (Tue Jul 09 2013 - 17:16:19 CDT)
- Re: [MetaD; namd 2.9] Pmf output file problem once the CV boundaries are reached, even using "expandBoundaries on" (Tue Nov 20 2012 - 18:41:02 CST)
- Re: metadynamics/ABF simulations using collective variables - issues with restarting the calculations (Wed Nov 14 2012 - 18:26:29 CST)
- Re: metadynamics/ABF simulations using collective variables - issues with restarting the calculations (Tue Nov 13 2012 - 14:11:05 CST)
- Re: [MetaD; namd 2.9] Pmf output file problem once the CV boundaries are reached, even using "expandBoundaries on" (Fri Sep 07 2012 - 11:38:08 CDT)
- Re: Trouble using rotateReference, centerRefrence and refPositionsGroup in the colvar module (Tue Feb 07 2012 - 16:57:33 CST)
- Re: Question about "Free Energy of Conformational Change Calculations" (Mon Feb 06 2012 - 11:13:21 CST)
- Re: Trouble using rotateReference, centerRefrence and refPositionsGroup in the colvar module (Thu Feb 02 2012 - 17:02:08 CST)
- Re: RMSD collective variable - Different atons to align and to calculate RMSD (Thu Feb 02 2012 - 13:52:49 CST)
- Re: Trouble using rotateReference, centerRefrence and refPositionsGroup in the colvar module (Wed Feb 01 2012 - 19:31:53 CST)
- Re: Trouble using rotateReference, centerRefrence and refPositionsGroup in the colvar module (Tue Jan 31 2012 - 12:28:24 CST)
- Gianluca Interlandi
- Re: Constraint failure in RATTLE algorithm occurs during NAMD simulation with amber force field (Thu Aug 29 2013 - 22:58:38 CDT)
- Giulia
- goldwheel87
- Gordon Wells
- Grace Brannigan
- Re: Reason: FATAL ERROR: DIDN'T FIND vdW PARAMETER FOR ATOM TYPE OT (Wed Sep 18 2013 - 11:59:02 CDT)
- Grant Schauer
- Guanglei Cui
- Gungor Ozer
- Gurpreet Kaur Dhindsa
- Gurunath Katagi
- Hadi
- Hadi Dinpajooh
- Hailey Bureau
- Haleh Abdizadeh
- Hall McDull
- hamid mosaddeghi
- Hamze Rahimi
- hanif mahboobi
- Hannes Loeffler
- hannes.loeffler_at_stfc.ac.uk
- harish vashisth
- Harris, Robert C.
- Hasan haska
- Himani Raina
- houyang chen
- Hugh Heldenbrand
- Huihui Liu
- Hyonseok Hwang
- Hyuntae Na
- ipsita basu
- Isaure Chauvot de Beauchne
- ishiikai08_at_yahoo.co.jp
- Ismail, Mohd F.
- Ivan Mikhaylov
- Ivana
- Iyer, Ravishankar K
- Izhar Karbat
- Jack Bulat
- Jacqueline Schmidt
- Re: dump specific atom positions into a txt file during the simulation (Fri Aug 31 2012 - 07:33:40 CDT)
- jafar azamat
- JAGODINSKY, JUSTIN
- James Starlight
- Re: Equilibration of the membrane-protein system done in CHARMM-GUI (Thu Nov 14 2013 - 07:32:44 CST)
- Re: Equilibration of the membrane-protein system done in CHARMM-GUI (Fri Nov 08 2013 - 06:38:26 CST)
- Jan Fredin
- Jana, Suvamay
- Jason Swails
- javacfish
- JC Gumbart
- Re: All CUDA devices are in prohibited mode, of compute capability 1.0, or otherwise unusable. (Tue Aug 20 2013 - 13:14:27 CDT)
- Re: 回复: Re: question about relative binding free energy calculation method using FEP (Sun Nov 25 2012 - 00:46:48 CST)
- Re: vmd-l: FFTK VMD plugin issue (arising from VECSCALE TCL issues of either NAMD or VMD ?) (Tue Jun 05 2012 - 09:22:10 CDT)
- RE: About the correction of charging two ion water box by using FEP (Sat Jun 02 2012 - 07:43:15 CDT)
- Re: About the correction of charging two ion water box by using FEP (Mon May 28 2012 - 17:15:35 CDT)
- Jeff Wereszczynski
- Jeffrey Potoff
- Jeremy Parlin
- Jernej Zidar
- jesmin jahan
- Jesper Srensen
- Jiao, Dian NMN (-EXP)
- Jiawei Xu
- Jim Phillips
- Re: DEVELOPER QUESTION -> NAMD Internal energy unit and TCL interface (Thu Oct 24 2013 - 10:01:30 CDT)
- jinxj
- Jiyong Park
- Joe Janicki
- johan strumpfer
- John Baker
- John Doe
- John Jumper
- John Stone
- Johny Telecaster
- Jon Fuller
- Jon Kusner
- Jon Phillips
- Jorge Hernandez Cobos
- Jorgen Simonsen
- Jose Borreguero
- Re: Can a small langevinDamping coefficient lead to 'ERROR: atoms moving too fast'? (Tue Aug 27 2013 - 16:25:38 CDT)
- Can a small langevinDamping coefficient lead to 'ERROR: atoms moving too fast'? (Mon Aug 26 2013 - 08:24:32 CDT)
- Re: ERROR: Could not translate the value....into a Vector for the option 'cellOrigin' (Mon Jul 15 2013 - 16:35:08 CDT)
- ERROR: Could not translate the value....into a Vector for the option 'cellOrigin' (Mon Jul 15 2013 - 16:19:31 CDT)
- how to do a vacuum minimization without electrostatics and periodic boundary conditions? (Wed Jun 05 2013 - 10:20:27 CDT)
- SOLVED: Fatal Error by charmc.../usr/bin/ld: cannot find -lsrfftw. Please help! (Wed Feb 13 2013 - 12:34:49 CST)
- Fatal Error by charmc.../usr/bin/ld: cannot find -lsrfftw. Please help! (Tue Feb 12 2013 - 17:26:12 CST)
- NAMD (and VMD) fail to read simple AMBER prmtop file (and it's not the SCEE and SCNB flags) (Sat Oct 20 2012 - 15:55:51 CDT)
- Re: what restraint can I use to prevent membrane diffusion on the Z-axis? (Wed Feb 29 2012 - 16:38:44 CST)
- jose correa
- Joseph Farran
- Joshua Adelman
- Joshua D. Moore
- Juan Jos Galano Frutos
- Juba, Derek
- Jérôme Hénin
- Re: use of colvars to restrain the absolute positions of all atoms in a large system (Wed Jul 10 2013 - 05:07:16 CDT)
- Re: A fancy problem in calculating the protonated glutamic acid modelled by adding the patch of GLUP (Fri May 31 2013 - 10:30:01 CDT)
- Re: Potential of mean force calculation using colvars in NADM 2.9 package (Fri May 17 2013 - 09:56:36 CDT)
- Re: Potential of mean force calculation using colvars in NADM 2.9 package (Fri May 17 2013 - 09:21:24 CDT)
- Re: Potential of mean force calculation using colvars in NADM 2.9 package (Thu May 16 2013 - 08:19:57 CDT)
- Re: AW: Can I define a simulation box but turn off the PBC at the same time? (Mon May 13 2013 - 03:17:29 CDT)
- Jrme Hnin
- Re: metadynamics/ABF simulations using collective variables - issues with restarting the calculations (Tue Nov 13 2012 - 10:21:19 CST)
- Re: using colvar for umbrella sampling between two carbon nanotubes in aqueous dispersion (Thu Sep 20 2012 - 12:45:49 CDT)
- Re: using colvar for umbrella sampling between two carbon nanotubes in aqueous dispersion (Thu Sep 20 2012 - 11:59:47 CDT)
- Re: Trouble using rotateReference, centerRefrence and refPositionsGroup in the colvar module (Fri Feb 03 2012 - 05:20:31 CST)
- Re: RMSD collective variable - Different atons to align and to calculate RMSD (Thu Feb 02 2012 - 15:40:47 CST)
- k.manzoorolajdad
- kanchi subbarao rao
- Fwd: what restraint can I use to prevent membrane diffusion on the Z-axis? (Tue Feb 28 2012 - 13:50:50 CST)
- Re: what restraint can I use to prevent membrane diffusion on the Z-axis? (Tue Feb 28 2012 - 11:58:49 CST)
- Re: what restraint can I use to prevent membrane diffusion on the Z-axis? (Mon Feb 27 2012 - 22:49:02 CST)
- Kapil jain
- karthik kumar
- karthik s
- Kasam, Vinod
- Kasra Fattah
- Katherine Parra Pulido
- Katrin Stbener
- kaushik chakraborty
- Kei Sit
- Kei-ichi Okazaki
- Keller Wenger
- Kenno Vanommeslaeghe
- Re: Equilibration of the membrane-protein system done in CHARMM-GUI (Wed Nov 06 2013 - 14:03:05 CST)
- Re: Reason: FATAL ERROR: DIDN'T FIND vdW PARAMETER FOR ATOM TYPE OT (Wed Sep 18 2013 - 16:52:41 CDT)
- Re: Reason: FATAL ERROR: DIDN'T FIND vdW PARAMETER FOR ATOM TYPE OT (Wed Sep 18 2013 - 13:50:04 CDT)
- Re: Reason: FATAL ERROR: DIDN'T FIND vdW PARAMETER FOR ATOM TYPE OT (Tue Sep 17 2013 - 18:20:38 CDT)
- Re: problem in determining atom types and charges for ligand atoms to type in the topology file (Thu Aug 29 2013 - 16:05:27 CDT)
- Re: problem in determining atom types and charges for ligand atoms to type in the topology file (Thu Aug 29 2013 - 09:00:58 CDT)
- Re: All CUDA devices are in prohibited mode, of compute capability 1.0, or otherwise unusable. (Thu Aug 15 2013 - 22:25:07 CDT)
- Re: AW: NBFIX 1-4 scaling term ignored for CHARMM format parameters (Thu Aug 08 2013 - 11:16:59 CDT)
- Re: Re: Using negatively charged phospholipids and no neutralization, membrane expands in the xy direction ....... (Thu Jul 25 2013 - 11:12:23 CDT)
- khalil ghafarian
- Kiarash Hosseini
- Koivuniemi Artturi
- Kong, Ren
- koushik.k
- Kovacs, Sandor
- Lane, William
- Lawson, John W. (ARC-TSM)
- lcbllcc_at_gmail.com
- Leandro Martnez
- lecan
- Lewis Martin
- Lili Zhang
- Lindong Weng
- linux freaker
- Liqi Feng
- Liqun Zhang
- Luca Bellucci
- Lucas
- Re: All CUDA devices are in prohibited mode, of compute capability 1.0, or otherwise unusable. (Thu Aug 15 2013 - 17:26:07 CDT)
- Re: All CUDA devices are in prohibited mode, of compute capability 1.0, or otherwise unusable. (Thu Aug 15 2013 - 01:53:22 CDT)
- Re: All CUDA devices are in prohibited mode, of compute capability 1.0, or otherwise unusable. (Wed Aug 14 2013 - 17:09:56 CDT)
- Luthur Cheung
- M Mahjour
- M.Raviprasad
- Madhulika Gupta
- Magnus Andersson
- Mahdi Tavakol
- Mallajosyula, Sairam
- Mamon Hatmal
- Re: problem in determining atom types and charges for ligand atoms to type in the topology file (Sun Sep 01 2013 - 16:16:38 CDT)
- Re: problem in determining atom types and charges for ligand atoms to type in the topology file (Thu Aug 29 2013 - 11:28:27 CDT)
- manish kesherwani
- Marc Charendoff
- Marc Gordon
- Marcel UJI (IMAP)
- Marcos Sotomayor
- Mare Libero
- Maria Antonieta Sanchez Farran
- Maria Bykhovskaia
- Maria Kopp
- Maria Pikoula
- Maria Saeed
- Mariana Graterol
- Marimuthu Krishnan
- Re: metadynamics/ABF simulations using collective variables - issues with restarting the calculations (Wed Nov 14 2012 - 18:22:48 CST)
- Re: metadynamics/ABF simulations using collective variables - issues with restarting the calculations (Tue Nov 13 2012 - 13:47:41 CST)
- MARK
- Mark Abraham
- Mark Cheeseman
- Mark Cunningham
- MARK PLUMMER
- Workshop - Computational Molecular Physics of Non-Bonded Bio-Molecular Interactions (Mon Jun 11 2012 - 17:14:51 CDT)
- Mark Triger
- Markus Dahlgren
- Markus K. Dahlgren
- Marlet Martinez
- Martin, Erik W
- RE: Why does my volume suddenly expand as I increase temper ature.. . (Tue Nov 12 2013 - 09:14:29 CST)
- Marzieh Alishahi
- Mara Antonieta Snchez Farrn
- Mashayak, Sikandar Yusufoddin
- Massimiliano Bonomi
- Massimiliano Porrini
- Matteo Pappalardo
- Matthew B. Roark
- Matthew Ralph Adendorff
- Maxim Belkin
- Maximilian Ebert
- Re: ABF: Distances in colvars.traj not identical with VMD exported distances (Tue Oct 29 2013 - 10:02:05 CDT)
- Re: ABF: Distances in colvars.traj not identical with VMD exported distances (Tue Oct 29 2013 - 07:13:04 CDT)
- Mayne, Christopher G
- Re: vmd-l: Suggestions on parameterizing a ligand to simulate in NAMD (Mon May 20 2013 - 14:32:42 CDT)
- Mehran Bagheri
- MEHRAN MB
- Melina
- Mengyuan Zhu
- Mert Gr
- Michael Galloway
- Michael Mazack
- Michael Purdy
- Michael Shokhen
- Michael Zimmermann
- Michal Skoczek
- Michel Espinoza-Fonseca
- Michelle Kuttel
- Miguel ngel Mompen Garca
- Mihaela Drenscko
- Mikhail Suyetin
- minh nhut
- Mithun Biswas
- mj_aghaei_at_aut.ac.ir
- mjyang
- Moema Monteiro
- MOHAMMAD JAVAD AGHAEI
- Mohammad Jomah I Abu Saude (mbusaude)
- Mohammad Jomah Ibraheem Ali Abu Saude (mbusaude)
- mohan maruthi sena
- Molecular Dynamics
- Monika Madhavi
- Morgan, Brittany
- Moritz Schlarb
- Mortaza Aghtar
- mpahleva_at_abo.fi
- Munir S. Skaf
- nabaneeta mukhopadhyay
- Nadeem A. Vellore
- Nadia Salami
- Namd Namd
- namd_chcwaaa_at_yahoo.com.cn
- nan li
- Narasimhan LOGANATHAN
- ncskocze_at_cyf-kr.edu.pl
- Neelanjana Sengupta
- Neeraj Agrawal
- Nicholas M Glykos
- Nicolas Floquet
- Nikita chopra
- Niklaus Johner
- Re: Reason: FATAL ERROR: DIDN'T FIND vdW PARAMETER FOR ATOM TYPE OT (Wed Sep 18 2013 - 10:29:40 CDT)
- Re: Reason: FATAL ERROR: DIDN'T FIND vdW PARAMETER FOR ATOM TYPE OT (Tue Sep 17 2013 - 11:35:45 CDT)
- Nikolaos Glykos
- Norman Geist
- AW: 50% system CPU usage when parallel running NAMD on Rocks cluster (Wed Dec 18 2013 - 02:06:09 CST)
- AW: 50% system CPU usage when parallel running NAMD on Rocks cluster (Mon Dec 16 2013 - 01:08:54 CST)
- AW: 50% system CPU usage when parallel running NAMD on Rocks cluster (Mon Dec 16 2013 - 01:07:28 CST)
- AW: 50% system CPU usage when parallel running NAMD on Rocks cluster (Tue Dec 10 2013 - 08:19:45 CST)
- AW: 50% system CPU usage when parallel running NAMD on Rocks cluster (Mon Dec 09 2013 - 01:19:28 CST)
- AW: 50% system CPU usage when parallel running NAMD on Rocks cluster (Tue Dec 03 2013 - 08:47:54 CST)
- AW: AW: charm++ MPI build errors on LSF Cluster: "Can not compile a MPI program" (Mon Dec 02 2013 - 05:27:37 CST)
- AW: charm++ MPI build errors on LSF Cluster: "Can not compile a MPI program" (Mon Dec 02 2013 - 02:05:24 CST)
- AW: NAMD_2.9_Linux-x86_64-ibverbs RUNS on QueenBee RUN TIME VARIATION (Tue Nov 19 2013 - 09:07:42 CST)
- AW: NAMD 2.9 install on CLuster mpirun/charmrun with ibverb version ? (Thu Nov 14 2013 - 06:43:49 CST)
- AW: AW: AW: Martini RBCG simulation frequently crashing with "atoms moving too fast" (Tue Nov 05 2013 - 03:04:53 CST)
- AW: AW: Martini RBCG simulation frequently crashing with "atoms moving too fast" (Mon Nov 04 2013 - 09:02:04 CST)
- AW: Martini RBCG simulation frequently crashing with "atoms moving too fast" (Mon Nov 04 2013 - 01:17:46 CST)
- AW: Re: DEVELOPER QUESTION -> NAMD Internal energy unit and TCL interface (Mon Oct 28 2013 - 09:17:36 CDT)
- AW: Re: DEVELOPER QUESTION -> NAMD Internal energy unit and TCL interface (Thu Oct 24 2013 - 11:53:37 CDT)
- AW: Re: DEVELOPER QUESTION -> NAMD Internal energy unit and TCL interface (Thu Oct 24 2013 - 11:51:38 CDT)
- AW: rcmd: socket: All ports in use w/ NAMD_2.9_Linux-x86_64-ibverbs (Mon Oct 14 2013 - 01:15:13 CDT)
- AW: All CUDA devices are in prohibited mode, of compute capability 1.0, or otherwise unusable. (Fri Aug 16 2013 - 00:22:44 CDT)
- AW: All CUDA devices are in prohibited mode, of compute capability 1.0, or otherwise unusable. (Thu Aug 15 2013 - 02:12:58 CDT)
- AW: All CUDA devices are in prohibited mode, of compute capability 1.0, or otherwise unusable. (Thu Aug 15 2013 - 00:50:54 CDT)
- AW: All CUDA devices are in prohibited mode, of compute capability 1.0, or otherwise unusable. (Wed Aug 14 2013 - 00:41:31 CDT)
- AW: 回复： Shift (or offset) of the lipid bilayer along Z axis during equilibration (Mon Jun 10 2013 - 00:42:35 CDT)
- AW: how to do a vacuum minimization without electrostatics and periodic boundary conditions? (Thu Jun 06 2013 - 02:12:01 CDT)
- AW: Help with "ERROR: Constraint failure in RATTLE algorithm for atom XXXX!" (Tue May 21 2013 - 01:02:42 CDT)
- AW: Can I define a simulation box but turn off the PBC at the same time? (Mon May 13 2013 - 00:22:55 CDT)
- AW: Exploding vdW energies in automatically generated POPC membranes (Tue May 07 2013 - 00:17:36 CDT)
- AW: Exploding vdW energies in automatically generated POPC membranes (Tue May 07 2013 - 00:16:20 CDT)
- AW: Are random forces applied at every step (when using the langevin thermostat) ? (Mon Apr 29 2013 - 01:55:37 CDT)
- AW: Can protein-water electrostatic interaction be turned off keeping protein-protein (vdw+elect) and water-water (vdw+elect) interactions intact? (Wed Mar 20 2013 - 02:47:06 CDT)
- AW: Can protein-water interaction be turned off keeping protein-protein and water-water interactions intact? (Tue Mar 19 2013 - 10:18:35 CDT)
- AW: Restart simulation of an equilibrated bilayer with sugar molecules inserted (Mon Mar 18 2013 - 01:39:50 CDT)
- AW: problem in solvating a graphene layer created using VMD-nanotube builder (Tue Mar 05 2013 - 00:18:44 CST)
- AW: GPUs silently stop working during simulation when oversubscribed (Thu Feb 28 2013 - 05:41:04 CST)
- AW: GPUs silently stop working during simulation when oversubscribed (Thu Feb 28 2013 - 03:21:00 CST)
- AW: Percentage of Residues in Ramachandran Plot regions versus time of trajectory (Tue Jan 29 2013 - 08:27:01 CST)
- AW: Percentage of Residues in Ramachandran Plot regions versus time of trajectory (Mon Jan 28 2013 - 00:08:17 CST)
- AW: Assigning Partial Charges to FE in Active Site Superoxide Dismutase. (Thu Jan 24 2013 - 01:23:18 CST)
- AW: Unexplained segmentation faults in NAMD 2.9 using CUDA and GBIS (Fri Nov 30 2012 - 00:32:14 CST)
- AW: FATAL ERROR: CUDA error in cudaGetDeviceCount on Pe 0 (thomasASUS): CUDA driver version is insufficient for CUDA runtime version (Tue Oct 23 2012 - 01:04:04 CDT)
- AW: FATAL ERROR: CUDA error in cudaGetDeviceCount on Pe 0 (thomasASUS): CUDA driver version is insufficient for CUDA runtime version (Tue Oct 23 2012 - 00:37:16 CDT)
- AW: FATAL ERROR: CUDA error in cudaGetDeviceCount on Pe 0 (thomasASUS): CUDA driver version is insufficient for CUDA runtime version (Mon Oct 22 2012 - 01:01:02 CDT)
- AW: RE: FATAL ERROR: CUDA error in cudaGetDeviceCount on Pe 0 (thomasASUS): CUDA driver version is insufficient for CUDA runtime version (Mon Sep 24 2012 - 00:19:08 CDT)
- AW: Please read: fatal error namd 2.7b1 for Win32 Memory allocation failed on processor > 0 (Tue Aug 28 2012 - 02:00:12 CDT)
- AW: Simultaneous calculation on CPU-only nodes and CPU/GPU node (with or without rCUDA) (Tue May 29 2012 - 01:05:16 CDT)
- AW: AW: Simultaneous calculation on CPU-only nodes and CPU/GPU node (with or without rCUDA) (Tue May 29 2012 - 00:59:55 CDT)
- AW: Simultaneous calculation on CPU-only nodes and CPU/GPU node (with or without rCUDA) (Fri May 25 2012 - 01:10:17 CDT)
- AW: Linux-x86_64-CUDA version 2.8 on CentOS-5 x86_64 non local user issue? (Mon Mar 26 2012 - 00:43:17 CDT)
- AW: Linux-x86_64-CUDA version 2.8 on CentOS-5 x86_64 non local user issue? (Fri Mar 23 2012 - 02:09:28 CDT)
- AW: Linux-x86_64-CUDA version 2.8 on CentOS-5 x86_64 non local user issue? (Wed Mar 21 2012 - 02:02:41 CDT)
- AW: Linux-x86_64-CUDA version 2.8 on CentOS-5 x86_64 non local user issue? (Tue Mar 20 2012 - 01:36:34 CDT)
- Nutan Preety
- oguz gurbulak
- Okazaki, Keiichi (NIH/NIDDK) [F]
- Ole Juul Andersen
- Re: Slow vacuum/GBIS simulations (time to completion keeps increasing) (Wed Jul 03 2013 - 07:28:20 CDT)
- RE: Slow vacuum/GBIS simulations (time to completion keeps increasing) (Wed Jul 03 2013 - 05:06:46 CDT)
- Olgun Guvench
- Osman, Roman
- P Fajer
- P.-L. Chau
- PANAGIOTA KYRIAKOU
- Paraskevi Gkeka
- src/ComputeNonbondedCUDA.C:1022: error: thread-local storage not supported for this target (Wed Jan 16 2013 - 10:35:57 CST)
- Parisa Akhski
- Patriche Simona
- Patricia Campbell
- Patrick Chiu
- Paul Hargrove
- PAUL NEWMAN
- Paul Rigor
- Paulo Cesar Telles de Souza
- Re: RMSD collective variable - Different atons to align and to calculate RMSD (Tue Feb 07 2012 - 11:53:47 CST)
- Pavan
- Pavan G
- Payne, Christy
- Pedro Armando Ojeda May
- Pedro Swagger
- Peter Jones
- Peter Murphy
- peter.schmidtke_at_fr.netgrs.com
- Peterson J
- Phil Miller
- poker_at_physics.usyd.edu.au
- Prathit Chatterjee
- Price, Gareth
- Priyanka Purkayastha
- Purushottam Dixit
- Puspita Halder
- Q=AF=9B=E8=BF=90=E9=93=96?=
- Quick, Ross
- R. Charbel Maroun
- Raghav
- raghav singh
- Rajan Vatassery
- Ramesh Cheerla
- Ramin Ekhteiari
- Ramya Gamini
- Randy J. Zauhar
- rasti
- rasti_at_ut.ac.ir
- Raul Araya
- Rawan Al Nsour
- Rebecca Swett
- Rehan Zafar
- Revthi Sanker
- Reza
- Richard Wood
- Riley Workman
- Robert Elder
- Robert Johnson
- Roberts, Jason
- rodolfo gonzalez
- Roman Shirokov
- Roy Fernando
- Assigning Partial Charges to FE in Active Site Superoxide Dismutase. (Wed Jan 23 2013 - 13:39:04 CST)
- Using CNS parameter file to create NAMD topology and parameter files (Wed Jan 23 2013 - 13:21:35 CST)
- Re: Atoms Gone Missing after Generalized Born Implicit Solvent Equilibration (Mon Jul 16 2012 - 16:43:04 CDT)
- Re: Atoms Gone Missing after Generalized Born Implicit Solvent Equilibration (Mon Jul 16 2012 - 15:03:53 CDT)
- Rui Zhang
- rukman kesh
- Saaz Sakrikar
- Sadegh Faramarzi Ganjabad
- Sagar Gore
- Sahu, Indra
- Sai Kumar Ramadugu
- sai nitin
- Sajad Falsafi-Zadeh
- Salvatore Mario Cosseddu
- My calcforces does not work properly after a unknown point of the simulation. (Wed Mar 13 2013 - 15:35:11 CDT)
- saman amiri
- Samuel Flores
- Sandeep Patel
- Sanket Avinash Deshmukh
- sanxing.xu_at_gmail.com
- sara
- scott davis
- Sean T Kigerl
- Sebastian Stolzenberg
- Sebastin Gutirrez
- Seetha Pothapragada
- Sereda, Yuriy Vladimirovich
- Sergei
- Sergey
- Shaikh Abdul Rajjak
- Shaon Chakrabarti
- sheida bagherzadeh
- Shen, Han
- Sheng, Zi-Zhang
- shivani nanda
- Shomesankar Bhunia
- Shubhra Ghosh Dastidar
- shunzhou Wan
- Shyno Mathew
- Sijia (Scarlett) Dong
- simone bardwell
- Sindu
- Siri Sndergaard
- Sneha Menon
- snoze pa
- somedatta pal
- Re: Can protein-water electrostatic interaction be turned off keeping protein-protein (vdw+elect) and water-water (vdw+elect) interactions intact? (Thu Mar 21 2013 - 23:49:13 CDT)
- Re: Can protein-water electrostatic interaction be turned off keeping protein-protein (vdw+elect) and water-water (vdw+elect) interactions intact? (Wed Mar 20 2013 - 00:37:21 CDT)
- how to switch off protein-water electrostatic interaction keeping the protein-water vdw interactions intact (Tue Mar 19 2013 - 02:57:09 CDT)
- Fwd: Can protein-water interaction be turned off keeping protein-protein and water-water interactions intact? (Tue Mar 19 2013 - 02:54:35 CDT)
- Re: Can protein-water interaction be turned off keeping protein-protein and water-water interactions intact? (Tue Mar 19 2013 - 00:35:22 CDT)
- SONY kaur
- Sridhar Kumar Kannam
- Re: file for fixed atoms is not found! - but the file exist actually (Fri Apr 05 2013 - 01:24:44 CDT)
- stefano pieraccini
- Stefanos Anogiannakis
- Stephan Grein
- Stephan Matthias Grein
- Stephen Holmes
- Steven Mike
- Steven W Rick
- Stober, Spencer T
- subbarao kanchi
- SUBHA KALYAANAMOORTHY
- sudipta
- Sunhwan Jo
- Re: Equilibration of the membrane-protein system done in CHARMM-GUI (Wed Nov 06 2013 - 09:29:54 CST)
- sunyeping
- sunyeping_at_aliyun.com
- superdirac
- Suranga Edirisinghe
- Suresh
- suresh satpati
- sutapa dutta
- Swarna M Patra
- Syed Kashif Zafar
- Sndor Kovcs
- Takuro Udagawa
- Tao Qu
- Taruna Gupta
- TCBG Workshop
- Teerapong Pirojsirikul
- Re: Reason: FATAL ERROR: DIDN'T FIND vdW PARAMETER FOR ATOM TYPE OT (Wed Sep 18 2013 - 15:45:54 CDT)
- Theresa H
- Thomas Albers
- Re: Re: NAMD 2.9b2-cuda does not scale well compared to NAMD 2.8 (solved) (Sun Apr 29 2012 - 08:33:54 CDT)
- Thomas Bishop
- Thomas Brian
- Thomas C. Bishop
- Thomas Evangelidis
- membrane bilayer crosses the z axis boundaries of the box and separates into two layers (Wed Dec 11 2013 - 14:29:33 CST)
- Re: FATAL ERROR: CUDA error in cudaGetDeviceCount on Pe 0 (thomasASUS): CUDA driver version is insufficient for CUDA runtime version (Mon Oct 22 2012 - 16:42:57 CDT)
- Re: FATAL ERROR: CUDA error in cudaGetDeviceCount on Pe 0 (thomasASUS): CUDA driver version is insufficient for CUDA runtime version (Sat Oct 20 2012 - 11:46:53 CDT)
- Re: RE: FATAL ERROR: CUDA error in cudaGetDeviceCount on Pe 0 (thomasASUS): CUDA driver version is insufficient for CUDA runtime version (Thu Sep 27 2012 - 06:08:04 CDT)
- Re: RE: FATAL ERROR: CUDA error in cudaGetDeviceCount on Pe 0 (thomasASUS): CUDA driver version is insufficient for CUDA runtime version (Sun Sep 23 2012 - 11:33:31 CDT)
- Re: FATAL ERROR: CUDA error in cudaGetDeviceCount on Pe 0 (thomasASUS): CUDA driver version is insufficient for CUDA runtime version (Sat Sep 22 2012 - 10:32:11 CDT)
- Re: FATAL ERROR: CUDA error in cudaGetDeviceCount on Pe 0 (thomasASUS): CUDA driver version is insufficient for CUDA runtime version (Sat Sep 22 2012 - 10:09:11 CDT)
- Re: FATAL ERROR: CUDA error in cudaGetDeviceCount on Pe 0 (thomasASUS): CUDA driver version is insufficient for CUDA runtime version (Sat Sep 22 2012 - 08:19:11 CDT)
- thomas lemmin
- Tian Li
- tillmann.utesch_at_mail.tu-berlin.de
- Tim.Ho_at_csiro.au
- Tina Stokelj
- Titis Sekar Humani
- Tom Coles
- TREIKALIS Antons
- Tristan Croll
- RE: Targeted and Steered MD: Why must the initial and targeted PDBs have identical # of atoms? (Tue Aug 27 2013 - 19:27:26 CDT)
- Tru Huynh
- Re: Linux-x86_64-CUDA version 2.8 on CentOS-5 x86_64 non local user issue? (Wed Mar 28 2012 - 09:48:15 CDT)
- Re: Linux-x86_64-CUDA version 2.8 on CentOS-5 x86_64 non local user issue? (Wed Mar 28 2012 - 09:10:26 CDT)
- Re: Linux-x86_64-CUDA version 2.8 on CentOS-5 x86_64 non local user issue? (Sat Mar 24 2012 - 18:03:28 CDT)
- Re: Linux-x86_64-CUDA version 2.8 on CentOS-5 x86_64 non local user issue? (Thu Mar 22 2012 - 14:28:54 CDT)
- Tugba Nogay
- Uday Midya
- Udaysankar Midya
- upayan baul
- Vahid Mirjalili
- Van Ngo
- Vanessa Gameiro
- vapour
- Vasudevan V
- Vasumathi Velachi
- venkata agasthya
- Vibhor Agrawal
- Victor
- Victor Ovchinnikov
- Vidhya Sankar
- Vignesh
- Vijay Vammi
- Villalain Boullon, Jose
- Membrane/peptide system. Water moving from one layer to the other ... (Wed Oct 23 2013 - 05:46:00 CDT)
- Vince Cho
- Vincent Leroux
- Vlad Cojocaru
- Vlastimil Zíma
- Walter Rocchia
- Wang
- Wang Yi
- Wanzhi Qiu
- Webber
- Wenhao Liu
- Wenyu Zhong
- Win Liu
- Xavier Bidault
- XAvier Periole
- Xi Cheng
- Xiaodong Pang
- Xiaohu Li
- Xingcheng Lin
- yandong Huang
- Yarrow Madrona
- Yi Wang, PhD
- Yihua Zhou
- Yim, Keun Soo
- Yize Hu
- yp sun
- ypg
- Yuqi Liu
- Zachary Ulissi
- Zack Scholl
- zhangxing
- Zhao Lina
- Zhuyi Xue
- Zumot, Elia Nabil
- ȣ
- 翁林岽
- 回复： Shift (or offset) of the lipid bilayer along Z axis during equilibration (Fri Jun 07 2013 - 21:30:12 CDT)
- Александр Северюхин
- Ӻ
- ˴
-
- Re: 50% system CPU usage when parallel running NAMD on Rocks cluster (Wed Dec 18 2013 - 06:43:18 CST)
- Re: 50% system CPU usage when parallel running NAMD on Rocks cluster (Tue Dec 17 2013 - 08:12:33 CST)
- Re: 50% system CPU usage when parallel running NAMD on Rocks cluster (Sat Dec 14 2013 - 07:55:47 CST)
- Re: 50% system CPU usage when parallel running NAMD on Rocks cluster (Tue Dec 10 2013 - 06:51:31 CST)
Last message date: Tue Dec 31 2013 - 11:28:27 CST
Archived on: Tue Dec 31 2013 - 23:24:07 CST
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