NAMD-L: By Author
By Author
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About this archive
Starting: Fri Jan 02 2015 - 23:19:01 CST
Ending: Tue Dec 27 2016 - 20:48:03 CST
- #YEO JINGJIE#
- 'Patrick Welche'
- Aaron Larsen
- Abhishek TYAGI
- Re: Modifying the equilibrium distance for a specific region of carbon nanotube in the parameter file (Mon Dec 26 2016 - 08:59:58 CST)
- Re: Query regarding parameter file generation of non standard residue (Thu Sep 08 2016 - 06:37:37 CDT)
- Re: simulating graphene sheets (with bonds across boundaries) with water (Tue Sep 15 2015 - 18:58:52 CDT)
- Abir Ganguly
- Abraham A. Gutierrez Hernandez
- Adelman, Joshua Lev
- Aditya Chattopadhyay
- Aditya Ranganathan
- Ajasja Ljubeti膷
- Re: applying constant force only within certain part of simulation cell? (Thu Mar 03 2016 - 15:27:35 CST)
- Akshata Rudrapatna
- Akshay Bhatnagar
- Aksimentiev, Oleksii
- Alexander Tzanov
- Ali Khanlarkhani
- Aliasghar Alizadeh-Mojarad
- Allen, Caley R
- Allison, Jane
- Amin Dehkharghani
- amin_at_imtech.res.in
- amit banerjee
- Amit Kumar
- Amitkumar Majhi
- Amy Rice
- Ana Celia Vila Verde
- Re: How to use a proper force constant to decrease computational cost while keeping calculation precision? (Wed Apr 20 2016 - 03:03:08 CDT)
- Andre Ribeiro
- Andr茅 Farias de Moura
- Angelo Rossi
- Anjela Manandhar
- AnkiReddy katha
- Ardavan Mehdizadeh
- Arijit Ghosh
- Aron Broom
- arpita agarwal
- Art
- Ashar Malik
- ashika torikora
- Asma el-magboub
- Atanu Maity
- Athreya, Nagendra Bala Murali
- Atsutoshi Okabe
- Avisek Das
- Axel Kohlmeyer
- Re: NVE simulations in NAMD - the right choice of timesteps and parameters (Tue Nov 29 2016 - 10:16:11 CST)
- Re: Running a test simulation using GPU only (without any CPU core) (Thu Apr 28 2016 - 10:40:38 CDT)
- Re: simulating graphene sheets (with bonds across boundaries) with water (Tue Sep 15 2015 - 19:22:27 CDT)
- Re: Why the Lennard鈭扟ones parameters E for anions are usually larger than cations? (Mon Jun 15 2015 - 05:36:16 CDT)
- School on Molecular Dynamics and Enhanced Sampling Methods @ Temple University July 6-10, 2015 (Fri May 08 2015 - 11:28:54 CDT)
- GPU Programming workshop @ ICTP: deadline extended for participants not requiring visa and financial support (Tue Mar 24 2015 - 14:17:40 CDT)
- Re: NAMD warning: Randomization of stack point is turned on in kernal, thread migration may not work! (Thu Mar 05 2015 - 11:40:42 CST)
- Azadeh Alavi
- B.W.J. Irwin
- Baker D.J.
- Bala subramanian
- bay__gulf618_at_sina.com
- beg眉m alaybeyo臒lu
- Re: RATTLE Error During Minimization of Charmm Gui Generated Bilayer (Wed Dec 16 2015 - 10:21:17 CST)
- Belkin, Maxim
- Ben Fritch
- Benjamin Brown
- Benjamin Hill
- Benjamin.Haberl_at_physik.uni-muenchen.de
- Bennion, Brian
- Boyang Wang
- Branko
- Re: Performing MD simulations with protein and halide ions (iodide, bromide, chloride) (Sat Oct 17 2015 - 15:42:11 CDT)
- Brian Radak
- Re: Studying Folding of 870 Small Peptides. Computationally Feasible? (Mon Dec 19 2016 - 09:32:10 CST)
- Re: NVE simulations in NAMD - the right choice of timesteps and parameters (Tue Nov 29 2016 - 12:52:15 CST)
- Re: NVE simulations in NAMD - the right choice of timesteps and parameters (Tue Nov 29 2016 - 10:04:53 CST)
- Re: Autocorrelation function of Rg goes down without fluctuation around zero (Wed Sep 07 2016 - 09:17:03 CDT)
- Re: Autocorrelation function of Rg goes down without fluctuation around zero (Tue Sep 06 2016 - 16:43:30 CDT)
- Re: Autocorrelation function of Rg goes down without fluctuation around zero (Tue Aug 23 2016 - 14:28:36 CDT)
- Re: Autocorrelation function of Rg goes down without fluctuation around zero (Tue Aug 23 2016 - 13:59:31 CDT)
- Re: how to rerun a namd trajectory in order to complement the missing snapshots? (Fri Aug 19 2016 - 07:54:54 CDT)
- Re: Autocorrelation function of Rg goes down without fluctuation around zero (Thu Aug 18 2016 - 11:37:31 CDT)
- Re: Autocorrelation function of Rg goes down without fluctuation around zero (Thu Aug 18 2016 - 11:20:22 CDT)
- Re: Autocorrelation function of Rg goes down without fluctuation around zero (Thu Aug 18 2016 - 11:00:16 CDT)
- Re: Autocorrelation function of Rg goes down without fluctuation around zero (Thu Aug 18 2016 - 10:21:30 CDT)
- Re: Autocorrelation function of Rg goes down without fluctuation around zero (Thu Aug 18 2016 - 09:47:02 CDT)
- Re: How can I find the proper number of solvent molecules in the simulation? (Mon Jun 06 2016 - 09:49:42 CDT)
- Re: Running a test simulation using GPU only (without any CPU core) (Thu Apr 28 2016 - 10:00:42 CDT)
- Re: Why wrapped and unwrapped trajectories show different energies over the time? (Sun Apr 24 2016 - 09:03:07 CDT)
- Re: AW: AW: AW: why does the transition seem to be irreversible in aMD (Tue Apr 05 2016 - 09:42:27 CDT)
- Re: Lowe-Andersen, Langevin and velocity rescaling thermostats (lipid bilayers) (Mon Apr 04 2016 - 09:44:37 CDT)
- Brunner, Robert Kraemer
- Bryan Roessler
- btreece_at_andrew.cmu.edu
- Bylund, Tatsiana (NIH/NIAID) [F]
- B鋜winkel, Tom
- Carlo Guardiani
- Carlos Simmerling
- Charan Thota
- Charlesworth, Henry
- Chen, Po-chia
- Chenyi L
- Chitrak Gupta
- Re: RATTLE Error During Minimization of Charmm Gui Generated Bilayer (Fri Dec 18 2015 - 09:08:27 CST)
- Re: RATTLE Error During Minimization of Charmm Gui Generated Bilayer (Wed Dec 16 2015 - 11:23:39 CST)
- Re: RATTLE Error During Minimization of Charmm Gui Generated Bilayer (Wed Dec 16 2015 - 09:21:07 CST)
- Chola Regmi
- Chris Chipot
- Chris Goedde
- Christian Bope Domilongo
- Christian Jorgensen
- clarkzhy
- Crystal Liu
- d.ronika_at_iitg.ernet.in
- daneshkaftroody_v_at_mech.sharif.ir
- daniel aguayo
- Daniel M枚ller
- Daniel M鰈ler
- Daniela Rivas
- Danielle Chandler
- Danielle Grodi
- Danilo Di Maio
- Danny Xu
- David Chin
- david gae
- David Hardy
- David Huggins
- Dawid das
- dayanidhi mohanta
- Debashis Kundu
- Deng, Jinxia (Nancy)
- Dharmeshkumar Patel
- Dhiraj Srivastava
- dhirajks_at_gmail.com
- Diksha Dubey
- divya nayar
- Dong Luo
- Doug Stetner
- Douglas Houston
- Downs, Andrew S CTR USARMY ARL (US)
- RE: [Non-DoD Source] RE: Compilation error across Intel 14, 15 and 16 (UNCLASSIFIED) (Thu Jan 14 2016 - 09:24:50 CST)
- RE: [Non-DoD Source] AW: Compilation error across Intel 14, 15 and 16 (UNCLASSIFIED) (Tue Jan 12 2016 - 14:04:36 CST)
- RE: [Non-DoD Source] AW: Compilation error across Intel 14, 15 and 16 (UNCLASSIFIED) (Tue Jan 12 2016 - 09:44:54 CST)
- Dr. Eddie
- dream
- Duster, Adam
- eBiothon Admin Team
- Ebru 脟etin
- Emad Tajkhorshid
- Emerson Macedo
- eprates_at_iqm.unicamp.br
- Eric A Brenner
- Eric Germaneau
- Eric Weine
- Ern Seang Ong
- Evandro Semighini
- Faramarz Joodaki
- Farhad Jahanfar
- faride badalkhani
- Re: Autocorrelation function of Rg goes down without fluctuation around zero (Wed Sep 07 2016 - 01:14:08 CDT)
- Re: Autocorrelation function of Rg goes down without fluctuation around zero (Mon Sep 05 2016 - 06:03:13 CDT)
- Re: Autocorrelation function of Rg goes down without fluctuation around zero (Tue Aug 23 2016 - 14:16:28 CDT)
- Re: Autocorrelation function of Rg goes down without fluctuation around zero (Mon Aug 22 2016 - 07:34:17 CDT)
- Re: Autocorrelation function of Rg goes down without fluctuation around zero (Fri Aug 19 2016 - 04:00:59 CDT)
- Re: Autocorrelation function of Rg goes down without fluctuation around zero (Thu Aug 18 2016 - 13:50:23 CDT)
- Re: Autocorrelation function of Rg goes down without fluctuation around zero (Thu Aug 18 2016 - 11:31:05 CDT)
- Re: Autocorrelation function of Rg goes down without fluctuation around zero (Thu Aug 18 2016 - 11:27:39 CDT)
- Re: Autocorrelation function of Rg goes down without fluctuation around zero (Thu Aug 18 2016 - 11:16:57 CDT)
- Re: Autocorrelation function of Rg goes down without fluctuation around zero (Thu Aug 18 2016 - 10:31:53 CDT)
- Re: Autocorrelation function of Rg goes down without fluctuation around zero (Thu Aug 18 2016 - 10:16:34 CDT)
- Autocorrelation function of Rg goes down without fluctuation around zero (Thu Aug 18 2016 - 04:21:07 CDT)
- Farideh Badalkhani Khamseh
- farzad kiani
- Felipe Merino
- Re: NVE simulations in NAMD - the right choice of timesteps and parameters (Tue Nov 29 2016 - 07:03:45 CST)
- Felix W.-H. Weng
- Fidan Sumbul
- Fotis Baltoumas
- Francesca L鴑stad Bleken
- Francesco Pietra
- Re: Fwd: colvars: keyword "name" is not supported, or not recognized in this context. (Thu Jan 15 2015 - 10:54:47 CST)
- Fwd: colvars: keyword "name" is not supported, or not recognized in this context. (Thu Jan 15 2015 - 10:10:14 CST)
- Fransiska Kurniawan
- g_at_ut#@m!
- Gabriel Jara
- Gaurab Sarkar
- Gergely Gyimesi
- Giacomo Fiorin
- Re: Setting up symmetry restraints in a homo-dimer with non-equal number of residues (Fri Dec 09 2016 - 12:34:43 CST)
- Re: is it possible to restrict the access of ions to certain volume? (Mon Oct 31 2016 - 15:43:34 CDT)
- Re: Umbrella sampling of 2 CNT's taking distance as collective variable (Wed Jun 01 2016 - 05:07:50 CDT)
- Re: Colvars: Unable to restrict rotation and translation along y and z axes (Fri May 20 2016 - 10:33:27 CDT)
- Re: Colvars: Unable to restrict rotation and translation along y and z axes (Wed May 18 2016 - 08:23:14 CDT)
- Re: Metadynamics simulation with Radius of Gyration and RMSD variation - 2 (Mon Apr 11 2016 - 10:08:14 CDT)
- Re: Metadynamics simulation with Radius of Gyration and RMSD variation - 1 (Mon Apr 11 2016 - 10:02:45 CDT)
- Gianluca Interlandi
- Gisella Alfonsino
- giulia palermo
- gmail
- Grace Brannigan
- Grant Schauer
- Greipel.Joachim_at_mh-hannover.de
- grenier_at_cinam.univ-mrs.fr
- Grzegorz Nawrocki
- Gurpreet Kaur Dhindsa
- G枚tz, Alexander
- G鰐z, Alexander
- Haleh a
- Hamed Fadaei
- Hannes Loeffler
- hannes.loeffler_at_stfc.ac.uk
- Hao Dong
- Hardy, David Joseph
- Harish Srinivasan
- Hartling, Kathryn
- Hasan haska
- HERBERT MAX VENTHUR PE楼A
- horacio poblete
- Horia Jalily Hasani
- Hossein Mohammadiarani
- Hugo Siles
- Ianni, James C CTR USARMY RDECOM ARL (US)
- ibrahim khalil
- Igaev, Maxim
- Ipsita Basu
- Ivaylo Nikolaev Ivanov
- Jackson Cavett
- Jamal Zanjani
- James Starlight
- Jan Fredin
- jashnvareh 1395
- Jason Swails
- JAVAD NOROOZI
- JC Gumbart
- Re: Studying Folding of 870 Small Peptides. Computationally Feasible? (Sat Dec 17 2016 - 19:18:46 CST)
- Re: Studying Folding of 870 Small Peptides. Computationally Feasible? (Sat Dec 17 2016 - 18:48:50 CST)
- Re: Re: vmd-l: Fwd: Inviting applications for a new PhD program in Quantitative Biosciences at Georgia Tech (Fri Sep 11 2015 - 10:08:07 CDT)
- Fwd: Inviting applications for a new PhD program in Quantitative Biosciences at Georgia Tech (Wed Sep 09 2015 - 18:15:34 CDT)
- jc guo
- Jean-Fran莽ois Fabre
- jeevan gc
- Jeff Comer
- Re: Lowe-Andersen, Langevin and velocity rescaling thermostats (lipid bilayers) (Wed Apr 06 2016 - 08:49:16 CDT)
- Re: PMEGridSize and parameters controlling electrostatic interactions. (Sun Jan 25 2015 - 18:11:17 CST)
- Jeffrey Potoff
- Jerome Karp
- Jerry Karp
- Jessen Lucas
- Jhonatam Cordeiro Rodrigues
- Jian Dai
- Jim Phillips
- RE: SMP NAMD reports threads greater than physical cores, even when distributed to other nodes (Sat Dec 19 2015 - 21:39:50 CST)
- RE: SMP NAMD reports threads greater than physical cores, even when distributed to other nodes (Fri Dec 18 2015 - 09:38:15 CST)
- Re: RATTLE Error During Minimization of Charmm Gui Generated Bilayer (Thu Dec 17 2015 - 19:49:32 CST)
- Re: Can't start SMP NAMD - Problem clearly is in front of the monitor (Tue Nov 17 2015 - 12:45:51 CST)
- Re: AW: time per step during GPU-accelerated Implicit Solvent calculations (Mon Nov 16 2015 - 08:55:26 CST)
- jing liang
- Jiyong Park
- Jodi Ann Hadden
- Hands-On Workshop on Computational Biophysics: November 14-18 in Atlanta, GA (Thu Sep 29 2016 - 00:27:31 CDT)
- Hands-On Workshop on Computational Biophysics: October 17-21 in Urbana, IL (Fri Sep 16 2016 - 15:35:45 CDT)
- Hands-On Workshop on Computational Biophysics: October 17-21 in Urbana, IL (Wed Sep 07 2016 - 18:06:53 CDT)
- Hands-On Workshop on Computational Biophysics: November 14-18 in Atlanta, GA (Tue Aug 16 2016 - 15:41:22 CDT)
- Hands-On Workshop on Computational Biophysics: October 17-21 in Urbana, IL (Tue Aug 16 2016 - 15:21:32 CDT)
- John Stone
- Jonasson Gabriella
- Jose Borreguero
- Josh Vermaas
- Re: Running a test simulation using GPU only (without any CPU core) (Thu Apr 28 2016 - 10:09:28 CDT)
- jostmey .
- Julian Gamboa
- J茅r么me H茅nin
- Re: Coordinate DCD file was not created during restart of adaptive biasing force simulation using colvars. (Thu Sep 22 2016 - 14:34:27 CDT)
- Re: Coordinate DCD file was not created during restart of adaptive biasing force simulation using colvars. (Thu Sep 22 2016 - 05:04:25 CDT)
- Re: Umbrella sampling of 2 CNT's taking distance as collective variable (Wed Jun 01 2016 - 10:26:27 CDT)
- Re: Re: accessing values of 'extendedLagrangian' fictious degree of freedom (Fri Apr 29 2016 - 04:37:36 CDT)
- Re: accessing values of 'extendedLagrangian' fictious degree of freedom (Wed Apr 27 2016 - 04:24:18 CDT)
- Re: keyword "outputaccumulatedwork" is not supported, or not recognized in this context. (Thu Oct 15 2015 - 01:43:25 CDT)
- Re: keyword "outputaccumulatedwork" is not supported, or not recognized in this context. (Wed Oct 14 2015 - 05:14:41 CDT)
- Re: keyword "outputaccumulatedwork" is not supported, or not recognized in this context. (Wed Oct 14 2015 - 05:05:54 CDT)
- K Miura
- Kanzliersch, Lukas
- Karson Bader
- Karteek Bejagam
- Kashish Punjani
- kaushik chakraborty
- Kenneth Huang
- Kevin C Chan
- Kevin Chan
- Klas Karis
- Kostas Malavazos
- krishna
- Kukol, Andreas
- Kumar, Amit
- L. Signorile
- Lachele Foley
- Lara rajam
- Laura Joana
- Laurent Chaloin
- Leandro Mart铆nez
- Lela Vukovic
- Second Announcement: 鈥楬ands On鈥 Workshop on Computational Biophysics (Berkeley, CA, Aug 3-7, 2015) (Tue Jun 16 2015 - 12:04:27 CDT)
- Announcement: Workshop on Simulation Based Drug Discovery (San Diego, CA, Sept 21-25, 2015) (Fri Jun 12 2015 - 21:06:22 CDT)
- Announcement: 鈥楬ands On鈥 Workshop on Computational Biophysics (Berkeley, CA, Aug 3-7, 2015) (Wed May 20 2015 - 00:06:46 CDT)
- Announcement: 鈥楬ands On鈥 Workshop on Computational Biophysics (Odense, Denmark, Oct 12-16, 2015) (Wed May 06 2015 - 01:39:55 CDT)
- Announcement: 鈥楬ands On鈥 Workshop on Computational Biophysics (Lake Tahoe, CA, Aug 3-7, 2015) (Tue Mar 24 2015 - 15:50:58 CDT)
- Lennart Nilsson
- RE: Autocorrelation function of Rg goes down without fluctuation around zero (Fri Aug 19 2016 - 01:42:03 CDT)
- Leonardo Herrera
- Lewis Martin
- Life Sciences Inc
- Loison Claire
- luca belmonte
- Luc铆a D铆az
- Ma'Mon Hatmal
- Madhulika Gupta
- Madhusoodanan M.R
- Mahad Gatti
- mahdi K
- Mahdi Tavakol
- Mahdiye Azadpour
- Mahrukh Imtiaz
- RE: Query regarding parameter file generation of non standard residue (Thu Sep 08 2016 - 11:22:31 CDT)
- Re: Query regarding parameter file generation of non standard residue (Thu Sep 08 2016 - 11:01:22 CDT)
- Re: Query regarding parameter file generation of non standard residue (Thu Sep 08 2016 - 02:36:31 CDT)
- Mahya Hemmat
- Mai Aamer
- Maksym Korablyov
- manish kesherwani
- maral hassani
- Marawan Hussien
- Marco Sant
- Maria Bykhovskaia
- Marisol Oswald
- MARK
- Mark Berger
- Mark Hilge
- Marlon Sidore
- Matthew Ralph Adendorff
- matthew reeves
- Mattia Felice Palermo
- Maxim Belkin
- Maxim Igaev
- Maxime Boissonneault
- Mayne, Christopher G
- MEHRAN MB
- Merrill, Dante
- Mert G眉r
- Michael Feig
- Michael Yuchi
- Mihaela Drenscko
- Mikhail Suyetin
- Milica Utje拧anovi膰
- Mitchell Gleed
- Mitul Saha
- Mo Chen
- Mohan maruthi sena
- Mona Habibi
- Monika Madhavi
- msa5
- nader zabarjad
- nam kim
- Nathan Lim
- Natnael Doilicho
- Neelanjana Sengupta
- Nehad Elsalamouny
- Nehir NALINCI
- Nicholas M Glykos
- Nicholas M. Glykos
- Nicholus Bhattacharjee
- Re: WHY!!! num_runs should be divisible by runs_per_frame * frames_per_restart -->REMD (Wed May 04 2016 - 10:07:53 CDT)
- Nicolas Martin
- Nikhil Maroli
- nikolaev_at_spbau.ru
- Nisler, Collin R.
- Norman Geist
- AW: vmd-l: Error connecting to localhost on port 3000 and IMD connection ended unexpectedly; connection terminated. (Thu Oct 27 2016 - 07:50:19 CDT)
- AW: Re: AW: Reason: FATAL ERROR: Unknown command-line option ++local (Tue Oct 11 2016 - 00:33:25 CDT)
- Possible bug in DCD writer, number of frames not in NSET but in 5-ZEROS (Wed Jul 06 2016 - 07:26:01 CDT)
- AW: Is GPU double-precision floating point performance important for NAMD? (Fri Jun 03 2016 - 01:49:06 CDT)
- AW: Re: AW: AW: AW: why does the transition seem to be irreversible in aMD (Tue May 24 2016 - 00:57:09 CDT)
- AW: Re: AW: AW: AW: why does the transition seem to be irreversible in aMD (Mon May 23 2016 - 08:42:04 CDT)
- AW: applying constant force only within certain part of simulation cell? (Fri Mar 04 2016 - 02:27:49 CST)
- AW: [Non-DoD Source] AW: Compilation error across Intel 14, 15 and 16 (UNCLASSIFIED) (Wed Jan 13 2016 - 02:17:01 CST)
- AW: [Non-DoD Source] AW: Compilation error across Intel 14, 15 and 16 (UNCLASSIFIED) (Tue Jan 12 2016 - 13:23:21 CST)
- AW: [Non-DoD Source] AW: Compilation error across Intel 14, 15 and 16 (UNCLASSIFIED) (Tue Jan 12 2016 - 08:31:52 CST)
- AW: time per step during GPU-accelerated Implicit Solvent calculations (Mon Nov 16 2015 - 01:52:00 CST)
- AW: 16 total processes killed (some possibly by mpirun during cleanup) (Tue Nov 03 2015 - 00:25:15 CST)
- AW: Re: AW: Why the computational speed does not increase with the increase of GPUs? (Fri Oct 23 2015 - 03:49:49 CDT)
- AW: Why the computational speed does not increase with the increase of GPUs? (Thu Oct 22 2015 - 02:27:54 CDT)
- AW: Regarding significance of days per ns (days/ns) parameter in NAMD benchmark (Tue Oct 20 2015 - 03:53:51 CDT)
- AW: Regarding significance of days per ns (days/ns) parameter in NAMD benchmark (Tue Oct 20 2015 - 01:29:19 CDT)
- RE: Is there any point in running NAMD over an ethernet-linked cluster? (Thu Apr 16 2015 - 10:39:38 CDT)
- oguz gurbulak
- Olya Kravchenko
- Re: is it possible to restrict the access of ions to certain volume? (Mon Oct 31 2016 - 15:55:28 CDT)
- Oscar Bastidas
- Otello Maria Roscioni
- Ozge Sensoy
- P.-L. Chau
- Panel Nicolas (M.)
- Parag Khuraswar
- Pardis Tabaee
- Patrick Welche
- Payal Chatterjee
- Payel Das
- Peter Freddolino
- Re: Studying Folding of 870 Small Peptides. Computationally Feasible? (Sat Dec 17 2016 - 22:04:38 CST)
- Re: WHY!!! num_runs should be divisible by runs_per_frame * frames_per_restart -->REMD (Tue May 03 2016 - 11:08:17 CDT)
- Peter Mawanga
- Phillips, Carolyn L.
- Prabhakar Bhimalapuram
- Pragya Priyadarshini
- Prathit Chatterjee
- Puneet
- Puneet Singh
- Purushottam Dixit
- Qing Li
- Qing Lv
- R. Charbel MAROUN
- R.L. Ma
- Rabeta Yeasmin
- Radak, Brian K
- Radhika Anoop
- Raed Ahmed Abdelsalam Shalaby
- Randall Hall
- Reza Salari
- Richard Overstreet
- Richter, Stefan
- Robert Sawko
- Roshan Shrestha
- rswett_at_chem.wayne.edu
- Ryan Gordon
- Ryan McGreevy
- Sachin Natesh
- Sadegh Faramarzi Ganjabad
- salehesam101 .
- Samuel Bowerman
- Sana Saeed
- Sanjana Anil Kumar Nair
- Santanu Santra
- Santosh Kumar Chaudhary
- Sarah Sweger
- Scott Brozell
- sem ciccioni
- sena
- Seth Axen
- Shalton Evans
- Shambo Hore
- Shannon, Gareth Bayley. (ARC-SS)[UNIVERSITIES SPACE RESEARCH ASSOCIATION]
- Shanshan Wu
- Shayon Bhattacharya
- Shikha Sharma
- Shoresh
- Shoresh Shafei
- Shyam Saladi
- siddharth kamal
- Simon Kit Sang Chu
- Sneha Menon
- sonia ziada
- Sonu Kumar
- Sourav Pal
- Sourav Purohit
- Sourav Ray
- Re: Colvars: Unable to restrict rotation and translation along y and z axes (Fri May 20 2016 - 01:31:38 CDT)
- Colvars: Unable to restrict rotation and translation along y and z axes (Wed May 18 2016 - 07:22:00 CDT)
- Error associated with protected variable initialization: Nightly Build version (Tue May 17 2016 - 13:50:54 CDT)
- Re: Running a test simulation using GPU only (without any CPU core) (Thu Apr 28 2016 - 10:04:29 CDT)
- Re: Metadynamics simulation with Radius of Gyration and RMSD variation - 2 (Mon Apr 11 2016 - 11:10:57 CDT)
- Re: Metadynamics simulation with Radius of Gyration and RMSD variation - 2 (Sat Apr 09 2016 - 14:53:15 CDT)
- Metadynamics simulation with Radius of Gyration and RMSD variation - 2 (Sat Apr 09 2016 - 12:11:53 CDT)
- Metadynamics simulation with Radius of Gyration and RMSD variation - 1 (Sat Apr 09 2016 - 12:03:36 CDT)
- Re: Re: vmd-l: Fwd: Inviting applications for a new PhD program in Quantitative Biosciences at Georgia Tech (Fri Sep 11 2015 - 11:15:47 CDT)
- Re: vmd-l: Fwd: Inviting applications for a new PhD program in Quantitative Biosciences at Georgia Tech (Wed Sep 09 2015 - 22:51:54 CDT)
- Re: FATAL ERROR: UNABLE TO FIND BOND PARAMETERS FOR CTL2 OC301 (ATOMS 25 45) (Fri Jun 12 2015 - 13:49:00 CDT)
- Re: Announcement: 'Hands On' Workshop on Computational Biophysics (Berkeley, CA, Aug 3-7, 2015) (Wed May 20 2015 - 00:33:00 CDT)
- Souvik Sinha
- Sridhar Kumar Kannam
- Re: keyword "outputaccumulatedwork" is not supported, or not recognized in this context. (Thu Oct 15 2015 - 02:24:52 CDT)
- Re: keyword "outputaccumulatedwork" is not supported, or not recognized in this context. (Thu Oct 15 2015 - 00:54:00 CDT)
- Srijita Paul
- Sriram Adhyapak
- sruthi c k
- Stanislav Q=A0imko?=
- Stefan Richter
- Stefano Guglielmo
- Stephan Grein
- Steve Chou
- Stojanoski, Vlatko
- Re: Performing MD simulations with protein and halide ions (iodide, bromide, chloride) (Sat Oct 17 2015 - 15:49:19 CDT)
- Subbarao Kanchi
- sunyeping
- FATAL ERROR: cuda_check_progress polled 1000000 times over 101.178648 s on step 6418536 (Thu Dec 01 2016 - 17:27:36 CST)
- 鈥淐annot compile C++ programs with mpicxx" error when compiling charm-6.7 (Sun Nov 20 2016 - 13:22:02 CST)
- how to rerun a namd trajectory in order to complement the missing snapshots? (Thu Aug 18 2016 - 22:35:51 CDT)
- Re: AW: Re: AW: AW: AW: why does the transition seem to be irreversible in aMD (Wed May 25 2016 - 00:48:18 CDT)
- Re: AW: AW: AW: why does the transition seem to be irreversible in aMD (Mon May 23 2016 - 03:53:37 CDT)
- Re: Would it be possible to continue a simulation from any snapshot of a trajectory? (Thu Nov 12 2015 - 20:57:20 CST)
- Would it be possible to continue a simulation from any snapshot of a trajectory? (Thu Nov 12 2015 - 02:45:51 CST)
- Re: AW: Why the computational speed does not increase with the increase of GPUs? (Fri Oct 23 2015 - 02:57:48 CDT)
- Why the computational speed does not increase with the increase of GPUs? (Wed Oct 21 2015 - 22:18:17 CDT)
- sunyzero
- Susmita Ghosh
- Syed Kashif Zafar
- Tabris Chun Chan
- Taejin Kim
- Tanner, John J.
- Teerapong Pirojsirikul
- Thanassis Silis
- Thomas Albers
- Thomas C Bishop
- Thomas C. Bishop
- Thomas Evangelidis
- Tien Huynh
- Tim.Ho_at_csiro.au
- RE: RE: Compilation error across Intel 14, 15 and 16 (UNCLASSIFIED) (Thu Jan 14 2016 - 22:02:44 CST)
- Tom Coles
- Tom King
- Tomek St臋pniewski
- Tristan Croll
- Instability in harmonic restraints when equilibrating large systems (Fri Jul 24 2015 - 16:52:05 CDT)
- upayan baul
- Re: simulating graphene sheets (with bonds across boundaries) with water (Wed Sep 16 2015 - 05:40:38 CDT)
- Urszula Uciechowska
- Vermaas, Joshua
- Re: Query regarding parameter file generation of non standard residue (Thu Sep 08 2016 - 11:19:05 CDT)
- Vibhor Agrawal
- Victor Ovchinnikov
- Vidhya Sankar
- Vijay L. Roy
- VINAYAK BHAT
- Viswanath Pasumarthi
- Vlad Cojocaru
- Re: NVE simulations in NAMD - the right choice of timesteps and parameters (Tue Nov 29 2016 - 11:09:40 CST)
- Vlastimil Z铆ma
- Vogel, Alexander
- Vy Phan
- Wade, Alex
- Wang, X. Y.
- wliu
- Xiaoge Wang
- Xiaokang Liu
- XSC
- Yan Shen
- Yan Zhou
- yandong Huang
- Yarrow Madrona
- yeguoqiao
- Yerko Escalona
- Yongcheng Zhou
- Yue Qian
- Yunhui Peng
- Z
- Zach Bonham
- Zeina Salman
- Zeinab Emami
- zeynab hoseyni
- Fwd: Modifying the equilibrium distance for a specific region of carbon nanotube in the parameter file (Mon Dec 26 2016 - 06:45:28 CST)
- Fwd: Modifying the equilibrium distance for a specific region of carbon nanotube in the parameter file (Sun Dec 25 2016 - 14:31:53 CST)
- zeynab mohamad hoseyni
- Zhao Qin
- Zhe Wu
- zmhoseyni
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- Сhenyi
- 丁晗
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- 李文娟
- 吕晴
- 吕小莹
- 脜ke Sandgren
- 脡ric Germaneau
- 瀛欎笟骞
- 瀹嬬憺鐝
- 宀￠儴绡や繆
- 袁小晶
Last message date: Tue Dec 27 2016 - 20:48:03 CST
Archived on: Tue Dec 27 2016 - 23:22:49 CST
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