NAMD-L: By Author
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About this archive
Starting: Mon Jan 01 2018 - 09:14:56 CST
Ending: Mon Dec 30 2019 - 20:12:28 CST
- Aashish Bhatt
- Abhaysinh Gaikwad
- Abhijit Gogoi
- Abhishek Kumar Singh
- Abhishek TYAGI
- Acharya, Atanu
- Aditya Ranganathan
- Adupa Vasista
- Agisilaos Chantzis
- Ahmad Kiani
- Ajasja Ljubetič
- Akshay Prabhakant
- Aksimentiev, Aleksei
- Alessandro Ruda
- Alex Saad-Falcon
- Alexander Adams
- Alexander Gonzalez
- Alfonso Gijón
- Ali Mehdizadeh Rahimi
- Aliasghar Alizadeh-Mojarad
- Alice Zheng
- Alison de Sousa Rebouças
- Amy Rice
- ANIRBAN MANDAL
- Antonio Vila Sanjurjo
- Anup Prasad
- Aravinda Munasinghe
- Re: FATAL ERROR: UNABLE TO FIND BOND PARAMETERS FOR CG2O4 CG311 (ATOMS 1220 1222) (Wed Jul 10 2019 - 06:57:20 CDT)
- Re: FATAL ERROR: UNABLE TO FIND BOND PARAMETERS FOR CG2O4 CG311 (ATOMS 1220 1222) (Tue Jul 09 2019 - 22:00:31 CDT)
- Re: FATAL ERROR: Periodic cell has become too small for original patch grid! (Sun May 26 2019 - 13:29:41 CDT)
- Re: Large number of simulations in parallel using replica exchange. (Mon Feb 11 2019 - 21:44:41 CST)
- Re: pre compiled charmm-6.8.2 for namd2.13 nightly version compilation for multiple GPU node simulations (Thu Jan 31 2019 - 08:58:00 CST)
- Re: pre compiled charmm-6.8.2 for namd2.13 nightly version compilation for multiple GPU node simulations (Wed Jan 30 2019 - 20:18:13 CST)
- Re: pre compiled charmm-6.8.2 for namd2.13 nightly version compilation for multiple GPU node simulations (Wed Jan 30 2019 - 17:17:56 CST)
- Re: pre compiled charmm-6.8.2 for namd2.13 nightly version compilation for multiple GPU node simulations (Tue Jan 29 2019 - 22:32:06 CST)
- pre compiled charmm-6.8.2 for namd2.13 nightly version compilation for multiple GPU node simulations (Tue Jan 29 2019 - 10:37:15 CST)
- ARNAB MUKHERJEE
- Artur Hermano
- Asghar Razavi
- Re: Is there really no way of automating pair interaction calculations without invoking NAMD for each pdb file separately? (Fri Nov 02 2018 - 08:30:21 CDT)
- Ashkan Shekaari
- Ashutosh Shandilya
- Athena Xue
- Axel Kohlmeyer
- Aysima Hacisuleyman
- Bartlomiej Tywoniuk
- Bassam Haddad
- Battocchio, Giovanni
- Bennion, Brian
- Bernitzky, Cornelius Constantin Maria
- Bowman, Jacob
- Braden Kelly
- Brian Radak
- Re: Problem with namd 2.13 constant pH molecular dynamics, HSD residue. (Fri Apr 19 2019 - 08:33:04 CDT)
- Re: Re: Solvate with methanol and acetone using free energy methods in NAMD? (Mon Mar 25 2019 - 11:44:08 CDT)
- Re: Constraint failure in rattle algorithm for some atoms, simulation becomes unstable (Fri Mar 22 2019 - 11:20:26 CDT)
- Re: COMmotion -- is it a good practice to turn it on for a restart? (Tue Mar 19 2019 - 17:03:02 CDT)
- Re: Large number of simulations in parallel using replica exchange. (Tue Feb 12 2019 - 10:32:28 CST)
- Re: Error with D-amino acids mid-sequence using NAMD 2.12/2.13b2 and CHARMm36 (Mon Nov 05 2018 - 11:18:56 CST)
- Re: Is there really no way of automating pair interaction calculations without invoking NAMD for each pdb file separately? (Fri Nov 02 2018 - 09:28:21 CDT)
- Re: Ewald size-dependence correction in FEP simulation of an electric dipole (Fri Sep 14 2018 - 09:37:16 CDT)
- Re: ParseFEP error with FEP in segments at different lambda schedule (Wed Aug 01 2018 - 06:53:18 CDT)
- Re: At high cutoff: "ERROR: CALCULATED VDWA FORCE MAY NOT MATCH ENERGY! POSSIBLE BUG!" (Sun Jul 01 2018 - 12:21:03 CDT)
- Re: namd2_ti.pl Error: Modification of non-creatable array value attempted (Mon Jun 04 2018 - 08:14:11 CDT)
- Re: How to solve the segmentation faults in compiling NAMD to build and test the Charm++/Converse library (MPI version)? (Fri May 04 2018 - 08:05:21 CDT)
- Re: Re: vmd-l: PSFGEN 1.6.4 autogenerate PATCH keyword not available (Tue Apr 24 2018 - 11:23:47 CDT)
- Re: ParseFEP error with FEP in segments at different lambda schedule (Tue Apr 10 2018 - 07:56:40 CDT)
- Re: vmd-l: [VMD-NAMD] Question about Dipole of DNA / Dipole Moment Watcher Plugin (Fri Mar 23 2018 - 10:59:05 CDT)
- Bruno Cuevas Zuviría
- Bryan Roessler
- Canal de Sebassen
- Carla Gmez Santiago
- Carlo Guardiani
- Chandni Tiwari
- Chang Sun
- Charles Hoying
- Charline FAGNEN
- Chitrak Gupta
- Chris Borchert
- Chris Chipot
- Chun Heung Wong
- Constanza Galaz Araya
- Daipayan Sarkar
- Daniel Möller
- Daniel Strahs
- Darin Lory
- David Hardy
- Re: accelMDdihe is not working properly in NAMD after commit e3e849639982dcba9a60c6072c81fdb7cba69759 (Wed Aug 08 2018 - 11:26:50 CDT)
- David Huggins
- Dawid das
- deep deep
- Deepti Karandur
- Defrese, Matthew
- Denish Poudyal
- Dhiman Ray
- Dhiraj Srivastava
- dhirajks
- Diego Gomes
- Dipak Balasaheb Sanap
- Ebru Çetin
- eee ffff
- Ekaterina Sobakinskaja
- Ercalary .
- Eric Smoll
- Esmael Jafari Haddadian
- Ester 94
- fabricio
- Faramarz Joodaki
- Fateme Ghadirian
- fhh2626
- Fidan Sumbul
- Florian Blanc
- Fotis Baltoumas
- Francesco Pietra
- Re: ParseFEP error with FEP in segments at different lambda schedule (Sat Aug 04 2018 - 08:21:10 CDT)
- Re: ParseFEP error with FEP in segments at different lambda schedule (Wed Aug 01 2018 - 09:10:54 CDT)
- francesco.pietra_at_accademialucchese.it
- Geist, Norman
- Geo Reuter
- Geordano Palacios
- Gerald Keller
- Gerard Rowe
- Giacomo Fiorin
- Re: Constraint failure in rattle algorithm for some atoms, simulation becomes unstable (Fri Mar 22 2019 - 08:08:24 CDT)
- Re: how to make a .Dx file trajectory to showing the Electrostatic Maps or ion concentration video? (Wed Mar 20 2019 - 14:42:13 CDT)
- Re: how to make a .Dx file trajectory to showing the Electrostatic Maps or ion concentration video? (Wed Mar 20 2019 - 08:10:44 CDT)
- Re: Colvars: Are the derivatives of optimal rotation matrix wrt atomic coordinates applied implicitly? (Wed Mar 13 2019 - 10:39:20 CDT)
- Re: Colvars: implement a CV which requires computing minimal RMSDs with respect to multiple different reference frames (Mon Mar 11 2019 - 10:39:31 CDT)
- Re: Large number of simulations in parallel using replica exchange. (Mon Feb 11 2019 - 22:06:38 CST)
- Re: pre compiled charmm-6.8.2 for namd2.13 nightly version compilation for multiple GPU node simulations (Thu Jan 31 2019 - 08:50:46 CST)
- Re: Error with D-amino acids mid-sequence using NAMD 2.12/2.13b2 and CHARMm36 (Mon Nov 05 2018 - 13:13:06 CST)
- Re: Error with D-amino acids mid-sequence using NAMD 2.12/2.13b2 and CHARMm36 (Mon Nov 05 2018 - 11:36:47 CST)
- Re: Which one is more reliable to use in umbrella sampling- .traj data or vmd script data (Fri Aug 03 2018 - 13:03:11 CDT)
- Re: Which one is more reliable to use in umbrella sampling- .traj data or vmd script data (Thu Aug 02 2018 - 22:33:16 CDT)
- Re: run different simulation of the same system by using different initial velocities (Thu May 24 2018 - 08:22:46 CDT)
- Re: How does NAMD calculate AccumulatedWork when using RMSD colvar? (Thu Apr 12 2018 - 16:14:53 CDT)
- Re: How does NAMD calculate AccumulatedWork when using RMSD colvar? (Thu Apr 12 2018 - 14:54:13 CDT)
- Re: How does NAMD calculate AccumulatedWork when using RMSD colvar? (Thu Apr 12 2018 - 14:49:04 CDT)
- Re: Using restraint on the dye using radius of gyration value in namd (Mon Apr 02 2018 - 10:40:18 CDT)
- Re: colvars: How to implement a collective variable of vector type? (Wed Mar 14 2018 - 08:26:48 CDT)
- Re: colvars: How to implement a collective variable of vector type? (Tue Mar 13 2018 - 09:07:18 CDT)
- Re: colvars: How to implement a collective variable of vector type? (Mon Mar 12 2018 - 07:13:52 CDT)
- Re: colvars: How to implement a collective variable of vector type? (Sun Mar 11 2018 - 07:05:09 CDT)
- Re: Functionality of wrapWater and wrapAll commands for periodic simulations (Wed Mar 07 2018 - 07:35:30 CST)
- Re: Re: How to set up a window distance of 2 angstroms in Umbrella sampling (Mon Mar 05 2018 - 07:38:59 CST)
- Re: Re: simulation becomes unstable in residue base coarse grained system (Mon Feb 12 2018 - 09:20:04 CST)
- Re: Re: simulation becomes unstable in residue base coarse grained system (Mon Feb 12 2018 - 08:38:15 CST)
- Re: Ways to find water molecules passing through the water channel in lipid bilayer (Thu Jan 18 2018 - 18:54:48 CST)
- Giorgio Amendola
- giuseppe_at_ks.uiuc.edu
- Gumbart, James C
- Gumbart, JC
- Gustavo Olivos
- Hadi Rahmaninejad
- Han, Yuwei
- Haohao Fu
- Re: QM/MM error: The number of QM atoms received is different than expected (Wed Mar 06 2019 - 21:11:46 CST)
- Harish Srinivasan
- Hazard, E. Starr
- Hazel, Anthony J
- Re: "Child killed: segmentation violation" error when running QM/MM minimization in QwikMD (Tue Jun 26 2018 - 17:48:31 CDT)
- Hemant Kumar
- HEMANTH H 18310019
- Henrik Schopmans
- Homeo Morphism
- Re: what's the latest on using NAMD (and MD in general) for docking? (Thu Mar 21 2019 - 02:04:27 CDT)
- horacio poblete
- Hristina Zhekova
- Hyun
- Ingrid Bernardes Santana Martins
- Ivan
- Jacob Usadi
- Jan Brezovsky
- Ph.D. candidate position in biomolecular modeling or bioinformatics (Wed Jul 04 2018 - 05:33:36 CDT)
- jashnvareh 1395
- JC Gumbart
- jeevan gc
- Jeff Comer
- Jeyaram R A
- Jiali Wang
- Re: use Colvars to track four group of pair atoms distance at same time? (Fri Nov 22 2019 - 19:56:18 CST)
- use Colvars to track four group of pair atoms distance at same time? (Fri Nov 22 2019 - 12:59:32 CST)
- Re: vmd-l: Re: Is there someway to render protein picture without background color? (Wed Sep 18 2019 - 10:14:28 CDT)
- Re: Is there someway to render protein picture without background color? (Sun Sep 15 2019 - 09:58:40 CDT)
- Re: Is there someway to render protein picture without background color? (Sat Sep 14 2019 - 21:19:50 CDT)
- Is there someway to render protein picture without background color? (Sat Sep 14 2019 - 20:25:54 CDT)
- Jim Parker
- Jim Phillips
- Re: BUG? reinitatoms on wrapped coordinates occasionally fail with rigidbonds (Wed Mar 13 2019 - 13:43:16 CDT)
- Re: pre compiled charmm-6.8.2 for namd2.13 nightly version compilation for multiple GPU node simulations (Wed Jan 30 2019 - 16:34:39 CST)
- jing liang
- Joanna Zienkiewicz
- Joao Ribeiro
- Re: vmd-l: query on how to allow the protein to interact with the water molecules (Tue Oct 08 2019 - 09:01:51 CDT)
- Re: FATAL ERROR: Must have either an initial temperature or a velocity file (Thu Aug 01 2019 - 08:55:49 CDT)
- Re: FATAL ERROR: Must have either an initial temperature or a velocity file (Tue Jul 30 2019 - 10:27:55 CDT)
- Re: FATAL ERROR: Must have either an initial temperature or a velocity file (Tue Jul 30 2019 - 09:16:13 CDT)
- Re: FATAL ERROR: Must have either an initial temperature or a velocity file (Mon Jul 29 2019 - 09:03:36 CDT)
- Joey Gehring
- John Hamre
- John Stone
- Re: vmd-l: Re: Is there someway to render protein picture without background color? (Thu Sep 19 2019 - 10:13:52 CDT)
- Re: vmd-l: Re: Is there someway to render protein picture without background color? (Wed Sep 18 2019 - 10:18:52 CDT)
- Josep Ivan Balaguer Molins
- José Fernando Ruggiero Bachega
- Jovan Dragelj
- jozs2019_at_uni.sydney.edu.au
- João Ribeiro
- "Hands-on" Workshop on Enhanced Sampling and Free-Energy Calculation at Urbana, IL, September 10-14, 2018 (Mon Jul 30 2018 - 16:15:45 CDT)
- Re: "Child killed: segmentation violation" error when running QM/MM minimization in QwikMD (Wed Jun 27 2018 - 09:47:41 CDT)
- Re: "Child killed: segmentation violation" error when running QM/MM minimization in QwikMD (Tue Jun 26 2018 - 18:16:11 CDT)
- Re: "Child killed: segmentation violation" error when running QM/MM minimization in QwikMD (Tue Jun 26 2018 - 17:53:38 CDT)
- Re: "Child killed: segmentation violation" error when running QM/MM minimization in QwikMD (Tue Jun 26 2018 - 17:41:48 CDT)
- "'Hands-on" Workshop on Computational Biophysics at Pittsburgh, PA, May 21-25, 2018 (Fri Mar 16 2018 - 15:47:15 CDT)
- Re: "Hands-On" Workshop on QM/MM Simulations at Urbana, IL, April 5-7, 2018 (Tue Feb 27 2018 - 08:08:16 CST)
- Juan R. Perilla
- Julian Müller
- Julio Maia
- Jumin Lee
- Junwoong Yoon
- Jérôme Hénin
- Re: Colvars: Are the derivatives of optimal rotation matrix wrt atomic coordinates applied implicitly? (Wed Mar 13 2019 - 09:37:31 CDT)
- Re: Colvars: implement a CV which requires computing minimal RMSDs with respect to multiple different reference frames (Mon Mar 11 2019 - 08:01:07 CDT)
- Re: Dual Topology in FEP Calculations - How to Calculate Electrostatics and van der Waals Free Energies Separately? (Tue Jul 24 2018 - 02:55:40 CDT)
- Re: Dual Topology in FEP Calculations - How to Calculate Electrostatics and van der Waals Free Energies Separately? (Mon Jul 23 2018 - 16:12:28 CDT)
- Re: Dual Topology in FEP Calculations - How to Calculate Electrostatics and van der Waals Free Energies Separately? (Sat Jul 21 2018 - 05:58:02 CDT)
- Karteek Bejagam
- Keshab Thapa
- kilincc18_at_itu.edu.tr
- Kinkini Jayasundara
- Kooshul S. Jhaveri
- Kosar Khajeh
- Kowsar Khajeh
- L-
- Re: run MD simulation in NAMD using stages file strategy or all in one file ? (Sat Jan 26 2019 - 10:59:20 CST)
- Lara rajam
- Laura Joana
- Laura Lopes
- Laura Tiessler
- Lennart Nilsson
- Lesli Oiling Mark
- Lewis J Martin
- Lewis Martin
- LIAO Mingling
- Life Sciences Inc
- Lucas Neumann
- Lutimba Stuart
- M RCC
- M. A
- Mahdi Mousaei
- Mahmood Naderan
- Mandana Tarakamesamani
- Mani Kandan
- Marawan Hussien
- Marcelo C. R. Melo
- Re: FATAL ERROR: Error in QM-MM bond assignment; bonded QM atoms with occupancy=1 (Fri Mar 08 2019 - 10:51:43 CST)
- Re: Re: QM/MM error: The number of QM atoms received is different than expected (Fri Mar 08 2019 - 10:44:33 CST)
- Re: Wrong result in running QM/MM simulation with a small test system (Mon Jan 07 2019 - 12:55:52 CST)
- Marco kadowaki
- Maria Bykhovskaia
- mariano spivak
- Marlon Sidore
- Maximilian Ebert
- McGuire, Kelly
- mert gölcük
- Miao, Yinglong
- Michael von Domaros
- michael zhenin
- Michail Lazaratos
- Mikhail Suyetin
- Milad Lagzian
- Milka Doktorova
- Miraj Naik
- Miro Astore
- Miyu Tamura
- mohammad goodarzi
- Mohsen Farshad
- Moises Ernesto Romero
- Monika Madhavi
- Mukta Sharma
- Nasim Rajabi
- Nassar, Omneya
- Re: Ewald size-dependence correction in FEP simulation of an electric dipole (Fri Sep 14 2018 - 08:02:04 CDT)
- Re: Ewald size-dependence correction in FEP simulation of an electric dipole (Fri Sep 14 2018 - 07:47:39 CDT)
- RE: Ewald size-dependence correction in FEP simulation of an electric dipole (Thu Sep 13 2018 - 21:54:08 CDT)
- RE: Ewald size-dependence correction in FEP simulation of an electric dipole (Wed Sep 12 2018 - 23:16:02 CDT)
- Re: Dual Topology in FEP Calculations - How to Calculate Electrostatics and van der Waals Free Energies Separately? (Tue Jul 24 2018 - 07:29:13 CDT)
- Natalia Ostrowska
- Nate Walkins
- neha rana
- Nibedita Ray Chaudhuri
- Nick Guros
- Nick Palmer
- Nielsen, Steven
- Nima Nouri
- Nirmitee Mulgaonkar
- Nisler, Collin R.
- Norman Geist
- AW: vmd-l: Re: Is there someway to render protein picture without background color? (Thu Sep 19 2019 - 04:13:05 CDT)
- BUG? reinitatoms on wrapped coordinates occasionally fail with rigidbonds (Wed Mar 13 2019 - 03:05:56 CDT)
- AW: strange benchmark results -- how would you explain them and what would you advice? (Wed Feb 27 2019 - 04:57:12 CST)
- AW: Large number of simulations in parallel using replica exchange. (Tue Feb 12 2019 - 01:54:14 CST)
- AW: Bad structure after converting the coarse grained last frame to all-atom (Fri Sep 21 2018 - 01:08:00 CDT)
- AW: AW: AW: Periodic cell has become too small for original patch grid (Wed Aug 15 2018 - 09:52:28 CDT)
- AW: AW: AW: Periodic cell has become too small for original patch grid (Wed Aug 15 2018 - 09:52:13 CDT)
- AW: AW: How to run a TCL proc at every step in NAMD using callback command? (Thu Jun 14 2018 - 04:13:18 CDT)
- AW: How to run a TCL proc at every step in NAMD using callback command? (Thu Jun 14 2018 - 03:38:08 CDT)
- AW: Difference between REMD replica temperature and actual temperature (Tue May 29 2018 - 02:12:11 CDT)
- Oleksii
- Oleksiy Kovtun
- Olya Kravchenko
- Omid Bavi
- Onur Serçinoğlu
- Oscar Bastidas
- Pang, Yui Tik
- Paula Mihaljevic-Juric
- Pavel Kostadinov
- Pawel Kedzierski
- Peter Freddolino
- Re: Simulation crashes during annealing the reverted all-atom structure (Wed Jul 24 2019 - 00:17:22 CDT)
- Re: Simulation crashes during annealing the reverted all-atom structure (Sat Jul 13 2019 - 22:09:46 CDT)
- Re: Is there really no way of automating pair interaction calculations without invoking NAMD for each pdb file separately? (Thu Nov 01 2018 - 15:45:16 CDT)
- Re: Bad structure after converting the coarse grained last frame to all-atom (Thu Sep 20 2018 - 11:14:35 CDT)
- Re: Bad structure after converting the coarse grained last frame to all-atom (Wed Sep 19 2018 - 20:52:15 CDT)
- Re: Bad structure after converting the coarse grained last frame to all-atom (Tue Sep 18 2018 - 12:26:59 CDT)
- Re: Bad structure after converting the coarse grained last frame to all-atom (Mon Sep 17 2018 - 15:58:31 CDT)
- Re: Broken Structure after reverting coarse-grained system to all-atom system (Tue Jul 10 2018 - 09:07:44 CDT)
- Peter Mawanga
- philippe Bourly
- Poonam Pandey
- Prabir Khatua
- Prakash Saud
- Pratik Narain Srivastava
- Priyanka Mondal
- Rabeta Yeasmin
- Simulation crashes during annealing the reverted all-atom structure (Fri Jul 12 2019 - 16:11:25 CDT)
- Calculating hydrophilic and hydrophobic Solvent Accessible Surface Area (Mon Oct 15 2018 - 10:26:45 CDT)
- Re: Bad structure after converting the coarse grained last frame to all-atom (Thu Sep 20 2018 - 09:58:39 CDT)
- Re: Bad structure after converting the coarse grained last frame to all-atom (Wed Sep 19 2018 - 13:00:29 CDT)
- Re: Bad structure after converting the coarse grained last frame to all-atom (Tue Sep 18 2018 - 13:36:40 CDT)
- Re: Bad structure after converting the coarse grained last frame to all-atom (Tue Sep 18 2018 - 10:58:25 CDT)
- Bad structure after converting the coarse grained last frame to all-atom (Mon Sep 17 2018 - 11:50:49 CDT)
- atom moving fast error in Coarse grained simulation: even reduced the time step (Mon Aug 06 2018 - 14:30:40 CDT)
- Re: Which one is more reliable to use in umbrella sampling- .traj data or vmd script data (Fri Aug 03 2018 - 10:41:28 CDT)
- Which one is more reliable to use in umbrella sampling- .traj data or vmd script data (Thu Aug 02 2018 - 16:24:35 CDT)
- Re: Broken Structure after reverting coarse-grained system to all-atom system (Tue Jul 10 2018 - 09:46:07 CDT)
- Broken Structure after reverting coarse-grained system to all-atom system (Mon Jul 09 2018 - 13:38:42 CDT)
- Bond parameter error for the system which has been converted using residue-based coarse-grained method (Wed Jul 04 2018 - 15:25:24 CDT)
- Re: Ways to find water molecules passing through the water channel in lipid bilayer (Fri Jan 19 2018 - 13:13:31 CST)
- Re: Ways to find water molecules passing through the water channel in lipid bilayer (Thu Jan 18 2018 - 18:43:06 CST)
- Raha YS
- Rakesh K
- rakesh kumar
- Randy J. Zauhar
- Raul Araya
- Rene Hamburger UNI KL
- Renfro, Michael
- Richard Overstreet
- Roessler, Bryan C
- Rohit Modee
- RonitS Chem
- Roshan Shrestha
- Re: Is there someway to render protein picture without background color? (Sat Sep 14 2019 - 23:44:28 CDT)
- Rui Chen
- Ryan McGreevy
- Re: mdff for EM map with helical symmetry and the asymmetric unit is dimer (Tue Jan 22 2019 - 14:07:55 CST)
- Ryuzo Azuma
- Sadegh Faramarzi Ganjabad
- san kumar
- Sanjay Hari
- Sanket Deshmukh
- Scott Brozell
- Sebastian S
- Seibold, Steve Allan
- Serena Vittorio
- run different simulation of the same system by using different initial velocities (Thu May 24 2018 - 07:35:39 CDT)
- sesha surya vara prasad reddy karri
- Shahar Keinan
- Shahee Islam
- Re: Re: simulation becomes unstable in residue base coarse grained system (Tue Feb 13 2018 - 06:56:10 CST)
- Re: Re: simulation becomes unstable in residue base coarse grained system (Tue Feb 13 2018 - 05:53:23 CST)
- Re: Re: simulation becomes unstable in residue base coarse grained system (Mon Feb 12 2018 - 09:27:03 CST)
- Re: Re: simulation becomes unstable in residue base coarse grained system (Mon Feb 12 2018 - 09:05:04 CST)
- Sharp, Kim
- SHIVAM TIWARI
- Shivangi Nangia
- SHOBHIT JAIN .
- shreyas supekar
- Shriya Bansal
- SHRUTEE JEURKAR
- shyam sharma
- SM Bargeen A Turzo
- Sonibare, Kolawole
- soroush ziaei
- Souvik Sinha
- Srijita Paul
- Stefano Guglielmo
- Stix, Robyn (NIH/NHLBI) [F]
- Strenic Computations
- Subbarao Kanchi
- sudipta.mml
- Sunny
- sunyeping
- Surbhi patel
- Suresh Ghimire
- Tabitha Nobel
- Takeru KAMEDA
- Teja Vanjari
- TeYu Kao
- The Cromicus Productions
- Re: vmd-l: [VMD-NAMD] Question about Dipole of DNA / Dipole Moment Watcher Plugin (Sun Mar 25 2018 - 20:31:45 CDT)
- thiagorrg UFC
- Thomas C. Bishop
- Thomas Evangelidis
- Travis Hesketh
- Tyler Wied
- Udaya Dahal
- varun dewaker
- Vermaas, Joshua
- RE: FATAL ERROR: Must have either an initial temperature or a velocity file (Sun Jul 28 2019 - 14:40:58 CDT)
- RE: [NAMD] How to decompose REUS results into electrostatic and van der Waals contributions (Wed Apr 03 2019 - 11:24:50 CDT)
- RE: Utilising the GPU in NAMD((NVIDIA CUDA acceleration) in windows (Thu Feb 21 2019 - 12:24:15 CST)
- RE: pre compiled charmm-6.8.2 for namd2.13 nightly version compilation for multiple GPU node simulations (Tue Jan 29 2019 - 11:42:29 CST)
- RE: Problems about constraint (conskcol) in umbrella sampling conf file (Wed Nov 21 2018 - 11:46:56 CST)
- RE: Calculating hydrophilic and hydrophobic Solvent Accessible Surface Area (Mon Oct 15 2018 - 10:35:25 CDT)
- RE: Which one is more reliable to use in umbrella sampling- .traj data or vmd script data (Fri Aug 03 2018 - 13:55:43 CDT)
- RE: run different simulation of the same system by using different initial velocities (Thu May 24 2018 - 08:28:06 CDT)
- RE: Re: vmd-l: PSFGEN 1.6.4 autogenerate PATCH keyword not available (Tue Apr 24 2018 - 12:08:20 CDT)
- RE: Re: vmd-l: PSFGEN 1.6.4 autogenerate PATCH keyword not available (Tue Apr 24 2018 - 10:59:35 CDT)
- Victor Kwan
- Re: Job submission error for NAMD-2.13 ( version netlrts with cuda-10.0) using Torque job scheduler (Tue Nov 19 2019 - 14:57:56 CST)
- Re: Barostat dimension rescaling under semi-isotropic pressure coupling conditions (Mon Sep 16 2019 - 17:24:41 CDT)
- Re: Ewald size-dependence correction in FEP simulation of an electric dipole (Thu Sep 13 2018 - 10:57:31 CDT)
- Vidhya Sankar
- Villalain Boullon, Jose
- vivek nani
- Vlad Cojocaru
- Weitao Wang
- William Tao
- Wintrode, Patrick
- Xander Gonzalez
- Xi Chen
- Yasser Bruno Ruiz Blanco
- Yi Lun Lee
- yjcoshc
- Re: Colvars: implement a CV which requires computing minimal RMSDs with respect to multiple different reference frames (Mon Mar 11 2019 - 22:16:08 CDT)
- Colvars: implement a CV which requires computing minimal RMSDs with respect to multiple different reference frames (Fri Mar 08 2019 - 19:41:00 CST)
- Re: AW: How to run a TCL proc at every step in NAMD using callback command? (Thu Jun 14 2018 - 04:06:40 CDT)
- How to run a TCL proc at every step in NAMD using callback command? (Thu Jun 14 2018 - 03:10:32 CDT)
- accelMDdihe is not working properly in NAMD after commit e3e849639982dcba9a60c6072c81fdb7cba69759 (Tue May 15 2018 - 20:59:09 CDT)
- NAMD hangs at "Load balancer assumes all CPUs are same." when runs on an infiniband cluster. (Mon May 14 2018 - 22:08:46 CDT)
- Re: colvars: How to implement a collective variable of vector type? (Wed Mar 14 2018 - 04:13:19 CDT)
- Re: colvars: How to implement a collective variable of vector type? (Tue Mar 13 2018 - 03:12:51 CDT)
- Re: colvars: How to implement a collective variable of vector type? (Mon Mar 12 2018 - 05:01:52 CDT)
- yjcoshc_at_gmail.com
- Re: use Colvars to track four group of pair atoms distance at same time? (Fri Nov 22 2019 - 20:42:11 CST)
- Re: use Colvars to track four group of pair atoms distance at same time? (Fri Nov 22 2019 - 13:23:13 CST)
- Re: Colvars: Are the derivatives of optimal rotation matrix wrt atomic coordinates applied implicitly? (Wed Mar 13 2019 - 10:41:47 CDT)
- Re: Colvars: Are the derivatives of optimal rotation matrix wrt atomic coordinates applied implicitly? (Wed Mar 13 2019 - 10:08:55 CDT)
- Colvars: Are the derivatives of optimal rotation matrix wrt atomic coordinates applied implicitly? (Wed Mar 13 2019 - 08:01:04 CDT)
- Youngwoo Woo
- Yousefi, Raziyeh
- Yu Zhou
- Zachary Ulissi
- Zhang Yan
- 张锦途
- 李耀
- 董超
- 辛志宏
- Re: Re: FATAL ERROR: Must have either an initial temperature or a velocity file (Sun Aug 04 2019 - 07:22:13 CDT)
- 김민재
- Арслан Кусмаев
Last message date: Mon Dec 30 2019 - 20:12:28 CST
Archived on: Tue Dec 31 2019 - 23:21:06 CST
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