Amber Archive Jul 2017 by subject
605 messages
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Starting
Fri Jun 30 2017 - 21:30:02 PDT,
Ending
Mon Jul 31 2017 - 15:00:02 PDT
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[AMBER] "Length of coordinates and ESP charges are different" in MCPB.py -s3
Pengfei Li
(Mon Jul 31 2017 - 14:29:46 PDT)
Eugene Cha
(Mon Jul 31 2017 - 03:59:56 PDT)
[AMBER] A DNA-based short-term memory for biological deep learning
Bill Ross
(Wed Jul 12 2017 - 14:46:54 PDT)
[AMBER] A good multi GPU work-station
James Starlight
(Wed Jul 12 2017 - 06:53:37 PDT)
James Starlight
(Wed Jul 12 2017 - 06:47:58 PDT)
Ross Walker
(Wed Jul 12 2017 - 05:59:22 PDT)
Luka Bilić
(Wed Jul 12 2017 - 04:54:15 PDT)
James Starlight
(Wed Jul 12 2017 - 01:46:40 PDT)
[AMBER] abmer error
Bill Ross
(Sun Jul 02 2017 - 22:06:09 PDT)
Rana Rehan Khalid
(Sun Jul 02 2017 - 21:27:58 PDT)
Bill Ross
(Sun Jul 02 2017 - 21:14:26 PDT)
Rana Rehan Khalid
(Sun Jul 02 2017 - 21:11:06 PDT)
Rana Rehan Khalid
(Sun Jul 02 2017 - 20:57:43 PDT)
[AMBER] About steered MD with pmemd and NMR restraints
Adrian Roitberg
(Mon Jul 10 2017 - 14:35:58 PDT)
Yao Xiao
(Mon Jul 10 2017 - 14:32:50 PDT)
[AMBER] adaptive biasing force (ABF) method in AMBER?
Xing
(Thu Jul 27 2017 - 10:44:52 PDT)
[AMBER] addAtomType
Rana Rehan Khalid
(Tue Jul 11 2017 - 22:09:38 PDT)
Rana Rehan Khalid
(Tue Jul 11 2017 - 22:08:29 PDT)
Hai Nguyen
(Tue Jul 11 2017 - 21:55:00 PDT)
Bill Ross
(Tue Jul 11 2017 - 21:52:48 PDT)
Rana Rehan Khalid
(Tue Jul 11 2017 - 21:38:49 PDT)
Hai Nguyen
(Tue Jul 11 2017 - 21:23:43 PDT)
Rana Rehan Khalid
(Tue Jul 11 2017 - 20:36:25 PDT)
Hai Nguyen
(Tue Jul 11 2017 - 19:25:51 PDT)
Rana Rehan Khalid
(Tue Jul 11 2017 - 19:20:32 PDT)
[AMBER] amb2gmx.pl script not working
Hai Nguyen
(Wed Jul 19 2017 - 05:34:14 PDT)
Dey, S.
(Wed Jul 19 2017 - 05:27:17 PDT)
[AMBER] AMBER Digest, Vol 1985, Issue 1
Elvis Martis
(Fri Jul 07 2017 - 09:56:10 PDT)
Garima Singh
(Fri Jul 07 2017 - 04:23:24 PDT)
[AMBER] AMBER Digest, Vol 1994, Issue 1
Hector Velazquez
(Mon Jul 17 2017 - 12:44:21 PDT)
[AMBER] amber error
Rana Rehan Khalid
(Sat Jul 01 2017 - 13:08:13 PDT)
[AMBER] Amber installation
David Case
(Fri Jul 14 2017 - 17:38:35 PDT)
Saikat Pal
(Fri Jul 14 2017 - 05:16:20 PDT)
Bill Ross
(Thu Jul 13 2017 - 11:23:16 PDT)
Hai Nguyen
(Thu Jul 13 2017 - 10:24:58 PDT)
Daniel Roe
(Thu Jul 13 2017 - 10:18:19 PDT)
Saikat Pal
(Thu Jul 13 2017 - 05:32:21 PDT)
Daniel Roe
(Thu Jul 13 2017 - 05:04:44 PDT)
Saikat Pal
(Thu Jul 13 2017 - 04:08:17 PDT)
Bill Ross
(Thu Jul 13 2017 - 01:35:07 PDT)
Saikat Pal
(Wed Jul 12 2017 - 23:18:51 PDT)
Daniel Roe
(Wed Jul 12 2017 - 08:21:14 PDT)
Saikat Pal
(Wed Jul 12 2017 - 08:01:30 PDT)
Rana Rehan Khalid
(Thu Jul 06 2017 - 07:55:30 PDT)
David A Case
(Thu Jul 06 2017 - 04:26:40 PDT)
Bill Ross
(Thu Jul 06 2017 - 00:54:10 PDT)
Rana Rehan Khalid
(Thu Jul 06 2017 - 00:18:12 PDT)
Bill Ross
(Wed Jul 05 2017 - 23:50:02 PDT)
Rana Rehan Khalid
(Wed Jul 05 2017 - 23:41:38 PDT)
Bill Ross
(Wed Jul 05 2017 - 23:37:39 PDT)
Rana Rehan Khalid
(Wed Jul 05 2017 - 23:35:18 PDT)
Bill Ross
(Wed Jul 05 2017 - 23:33:27 PDT)
Rana Rehan Khalid
(Wed Jul 05 2017 - 23:31:08 PDT)
Hai Nguyen
(Wed Jul 05 2017 - 22:34:29 PDT)
Rana Rehan Khalid
(Wed Jul 05 2017 - 22:22:33 PDT)
Bill Ross
(Wed Jul 05 2017 - 22:11:54 PDT)
Rana Rehan Khalid
(Wed Jul 05 2017 - 22:09:43 PDT)
[AMBER] amber installations error in cygwin
Hai Nguyen
(Sat Jul 01 2017 - 09:04:46 PDT)
[AMBER] Amber md in HPC
David Case
(Tue Jul 04 2017 - 06:57:28 PDT)
Bill Ross
(Tue Jul 04 2017 - 00:36:04 PDT)
Elvis Martis
(Tue Jul 04 2017 - 00:31:41 PDT)
Garima Singh
(Mon Jul 03 2017 - 23:53:42 PDT)
[AMBER] AMber trajectory to Gromacs trajectory
Daniel Roe
(Wed Jul 05 2017 - 05:54:14 PDT)
[AMBER] amber12 cpptraj runanalysis
Martina Devi
(Tue Jul 18 2017 - 09:18:39 PDT)
Daniel Roe
(Tue Jul 18 2017 - 07:38:52 PDT)
Martina Devi
(Tue Jul 18 2017 - 07:21:29 PDT)
[AMBER] aMD Hamiltonian replica exchange
Qinghua Liao
(Wed Jul 05 2017 - 07:55:06 PDT)
Daniel Roe
(Wed Jul 05 2017 - 06:51:34 PDT)
Qinghua Liao
(Wed Jul 05 2017 - 06:06:16 PDT)
[AMBER] antechamber problem
Michael Shokhen
(Thu Jul 13 2017 - 03:22:32 PDT)
Prayagraj Fandilolu
(Thu Jul 13 2017 - 02:42:44 PDT)
Michael Shokhen
(Thu Jul 13 2017 - 02:15:28 PDT)
[AMBER] Atoms do not have type Error for G-quadruplex DNA.
David A Case
(Sun Jul 30 2017 - 18:21:26 PDT)
Jerrano Bowleg
(Sun Jul 30 2017 - 09:12:07 PDT)
[AMBER] Buying-renting GPU/CPU time for amber MD simulations
George Tzotzos
(Thu Jul 20 2017 - 09:27:21 PDT)
Kenneth Huang
(Thu Jul 20 2017 - 09:05:10 PDT)
Ross Walker
(Thu Jul 20 2017 - 08:56:48 PDT)
Chris Neale
(Thu Jul 20 2017 - 08:53:27 PDT)
George Tzotzos
(Thu Jul 20 2017 - 08:38:16 PDT)
[AMBER] can't mutated Pro to Ala correctly during generating snapshots
Daniel Roe
(Wed Jul 05 2017 - 05:30:34 PDT)
[AMBER] charm-gui pdb incompatible with xleap
David Case
(Mon Jul 10 2017 - 19:20:07 PDT)
Robert Wohlhueter
(Mon Jul 10 2017 - 09:51:21 PDT)
[AMBER] Chi plot tryptophan.
Hai Nguyen
(Mon Jul 17 2017 - 22:10:16 PDT)
Saman Yousuf ali
(Mon Jul 17 2017 - 22:07:16 PDT)
[AMBER] Construction of a large non-standard residue
Andrew Schaub
(Sat Jul 01 2017 - 17:52:55 PDT)
[AMBER] counting ions - doubt-urgent
George Giambasu
(Wed Jul 26 2017 - 12:10:08 PDT)
maryvj1985
(Wed Jul 26 2017 - 11:33:15 PDT)
Daniel Roe
(Wed Jul 26 2017 - 08:33:32 PDT)
maryvj1985
(Wed Jul 26 2017 - 07:55:37 PDT)
Daniel Roe
(Wed Jul 26 2017 - 06:55:39 PDT)
Christina Bergonzo
(Wed Jul 26 2017 - 06:55:20 PDT)
George Giambasu
(Wed Jul 26 2017 - 06:46:03 PDT)
Mary Varughese
(Wed Jul 26 2017 - 03:05:15 PDT)
[AMBER] cphstats Error: Could not open or parse cpin file
Vincent Ustach
(Fri Jul 14 2017 - 09:34:08 PDT)
Eric Lang
(Fri Jul 14 2017 - 01:48:40 PDT)
Vincent Ustach
(Thu Jul 13 2017 - 12:12:59 PDT)
[AMBER] CPPTRAJ analysis on PDB trajectory with TIP4P water from GROMACS
Neha Gandhi
(Fri Jul 21 2017 - 02:43:19 PDT)
Daniel Roe
(Thu Jul 20 2017 - 06:24:18 PDT)
Daniel Roe
(Wed Jul 19 2017 - 03:16:32 PDT)
Chris Neale
(Tue Jul 18 2017 - 21:04:46 PDT)
Ming Tang
(Tue Jul 18 2017 - 14:56:41 PDT)
Daniel Roe
(Tue Jul 18 2017 - 07:11:15 PDT)
Ming Tang
(Mon Jul 17 2017 - 19:08:13 PDT)
[AMBER] cpptraj hbond
Daniel Roe
(Thu Jul 13 2017 - 10:12:00 PDT)
Martina Devi
(Thu Jul 13 2017 - 09:12:16 PDT)
[AMBER] CPPTRAJ question: How to do RMS on a trajectory fragment?
Jose Borreguero
(Thu Jul 06 2017 - 13:26:35 PDT)
Jose Borreguero
(Thu Jul 06 2017 - 13:22:25 PDT)
Daniel Roe
(Thu Jul 06 2017 - 13:13:48 PDT)
Hai Nguyen
(Thu Jul 06 2017 - 11:49:38 PDT)
Jose Borreguero
(Thu Jul 06 2017 - 11:41:58 PDT)
[AMBER] cudaGetDeviceCount failed unknown error AMBER16
Ross Walker
(Wed Jul 12 2017 - 12:44:58 PDT)
Daniel Roe
(Wed Jul 12 2017 - 12:36:32 PDT)
Hector Velazquez
(Wed Jul 12 2017 - 12:16:18 PDT)
[AMBER] Difference between AMBER 14 pmemd.cuda and AMBER 12 pmemd.cuda
David A Case
(Sat Jul 29 2017 - 06:24:49 PDT)
Saikat Pal
(Wed Jul 26 2017 - 07:34:36 PDT)
[AMBER] Distance restraint during production md
David Case
(Sun Jul 23 2017 - 04:33:06 PDT)
Lizelle Lubbe
(Sat Jul 22 2017 - 10:51:43 PDT)
[AMBER] error
Daniel Roe
(Wed Jul 12 2017 - 06:08:08 PDT)
Rana Rehan Khalid
(Tue Jul 11 2017 - 15:07:37 PDT)
Bill Ross
(Tue Jul 11 2017 - 14:57:20 PDT)
Rana Rehan Khalid
(Tue Jul 11 2017 - 14:52:30 PDT)
Bill Ross
(Tue Jul 11 2017 - 14:36:01 PDT)
Rana Rehan Khalid
(Tue Jul 11 2017 - 14:30:00 PDT)
Bill Ross
(Tue Jul 11 2017 - 14:24:38 PDT)
Rana Rehan Khalid
(Tue Jul 11 2017 - 14:23:29 PDT)
Bill Ross
(Tue Jul 11 2017 - 14:20:37 PDT)
Rana Rehan Khalid
(Tue Jul 11 2017 - 14:05:07 PDT)
Rana Rehan Khalid
(Tue Jul 11 2017 - 09:48:19 PDT)
Rana Rehan Khalid
(Tue Jul 11 2017 - 09:22:55 PDT)
[AMBER] Error analyzing temperature
Daniel Roe
(Fri Jul 28 2017 - 09:07:17 PDT)
Núbia Prates
(Fri Jul 28 2017 - 08:16:13 PDT)
[AMBER] Error come after executing this command MCPB.py -i 4ZF6.in -s 2
Pengfei Li
(Thu Jul 27 2017 - 12:31:46 PDT)
Rana Rehan Khalid
(Tue Jul 18 2017 - 20:38:51 PDT)
[AMBER] Error in LEaP
Bill Ross
(Tue Jul 18 2017 - 08:29:33 PDT)
Dey, S.
(Tue Jul 18 2017 - 02:11:42 PDT)
Bill Ross
(Mon Jul 17 2017 - 09:54:29 PDT)
Thakur, Abhishek
(Mon Jul 17 2017 - 09:02:42 PDT)
Dey, S.
(Mon Jul 17 2017 - 08:55:10 PDT)
[AMBER] error running mmpbsa
Elvis Martis
(Sun Jul 02 2017 - 23:41:39 PDT)
[AMBER] Error with 'surf' and acetonitrile-water solvent mixture
Daniel Roe
(Mon Jul 03 2017 - 12:14:26 PDT)
[AMBER] error with MMPBSA
Mohammad Salem
(Fri Jun 30 2017 - 21:56:09 PDT)
Mohammad Salem
(Fri Jun 30 2017 - 21:50:35 PDT)
Elvis Martis
(Fri Jun 30 2017 - 21:41:45 PDT)
Mohammad Salem
(Fri Jun 30 2017 - 21:22:54 PDT)
[AMBER] ERROR: The unperturbed charge of the unit: is not integral
Li, Wen
(Tue Jul 18 2017 - 07:33:44 PDT)
David Case
(Fri Jul 14 2017 - 17:41:58 PDT)
Qinghua Liao
(Fri Jul 14 2017 - 06:50:21 PDT)
Li, Wen
(Fri Jul 14 2017 - 06:39:45 PDT)
David Case
(Thu Jul 13 2017 - 14:01:10 PDT)
Li, Wen
(Thu Jul 13 2017 - 11:38:01 PDT)
[AMBER] Extracting trajectory without the periodic boundary conditions usng ptraj
David Case
(Sun Jul 23 2017 - 12:44:28 PDT)
Shilpa Gupta
(Sun Jul 23 2017 - 10:55:18 PDT)
[AMBER] Frcmod and prepin from inpcrd
David Case
(Sun Jul 02 2017 - 13:22:48 PDT)
Bill Ross
(Sun Jul 02 2017 - 10:58:37 PDT)
Lorenzo Gontrani
(Sun Jul 02 2017 - 01:21:22 PDT)
Bill Ross
(Sat Jul 01 2017 - 23:20:51 PDT)
Hirdesh Kumar
(Sat Jul 01 2017 - 20:43:17 PDT)
[AMBER] Free energy calculation of Metalloprotein
Hai Nguyen
(Sun Jul 09 2017 - 18:43:23 PDT)
Garima Singh
(Sun Jul 09 2017 - 17:26:56 PDT)
David Case
(Fri Jul 07 2017 - 06:50:18 PDT)
Garima Singh
(Fri Jul 07 2017 - 04:02:29 PDT)
[AMBER] Free Energy, mutating an amino acid
Johannes Loeffler
(Mon Jul 24 2017 - 23:09:11 PDT)
[AMBER] Functions in NAB
Hai Nguyen
(Tue Jul 25 2017 - 21:18:18 PDT)
Akshar Sharma
(Tue Jul 25 2017 - 21:14:22 PDT)
David Case
(Tue Jul 25 2017 - 17:02:07 PDT)
Akshar Sharma
(Fri Jul 21 2017 - 11:18:14 PDT)
Akshar Sharma
(Fri Jul 21 2017 - 11:14:17 PDT)
David Case
(Fri Jul 21 2017 - 06:03:10 PDT)
Akshar Sharma
(Thu Jul 20 2017 - 21:20:50 PDT)
David A Case
(Thu Jul 20 2017 - 10:33:35 PDT)
Akshar Sharma
(Thu Jul 20 2017 - 08:54:23 PDT)
[AMBER] G09 Error
Rana Rehan Khalid
(Mon Jul 17 2017 - 13:26:55 PDT)
Gorday, Kent M.
(Mon Jul 17 2017 - 13:20:15 PDT)
Rana Rehan Khalid
(Mon Jul 17 2017 - 12:51:20 PDT)
Gorday, Kent M.
(Mon Jul 17 2017 - 11:57:07 PDT)
Rana Rehan Khalid
(Mon Jul 17 2017 - 11:38:12 PDT)
[AMBER] gaff
David A Case
(Fri Jul 28 2017 - 10:51:53 PDT)
Milo Westler
(Thu Jul 27 2017 - 16:17:16 PDT)
[AMBER] gamess installation
James Kress
(Mon Jul 10 2017 - 19:55:47 PDT)
Rana Rehan Khalid
(Mon Jul 10 2017 - 19:19:41 PDT)
[AMBER] gcc error while compiling Amber16 on ubuntu16.04
Hai Nguyen
(Sun Jul 16 2017 - 10:13:03 PDT)
David Case
(Sun Jul 16 2017 - 10:03:18 PDT)
Bill Ross
(Sat Jul 15 2017 - 14:27:37 PDT)
Vivek Bharadwaj
(Sat Jul 15 2017 - 14:17:17 PDT)
[AMBER] Generation of Topology and coordinate file for ionic liquid.
Vidya Sundaram
(Wed Jul 05 2017 - 01:05:57 PDT)
Lorenzo Gontrani
(Tue Jul 04 2017 - 22:29:37 PDT)
Lorenzo Gontrani
(Tue Jul 04 2017 - 22:28:54 PDT)
Vidya Sundaram
(Tue Jul 04 2017 - 22:22:04 PDT)
[AMBER] gpu %utils vs mem used
Scott Le Grand
(Tue Jul 25 2017 - 19:04:31 PDT)
Ryan Novosielski
(Tue Jul 25 2017 - 18:58:00 PDT)
Ross Walker
(Tue Jul 25 2017 - 18:44:21 PDT)
Mark Abraham
(Tue Jul 25 2017 - 18:24:33 PDT)
Ross Walker
(Tue Jul 25 2017 - 16:38:20 PDT)
James Kress
(Tue Jul 25 2017 - 16:18:21 PDT)
Mark Abraham
(Tue Jul 25 2017 - 14:19:42 PDT)
Ross Walker
(Tue Jul 25 2017 - 12:02:55 PDT)
Mark Abraham
(Tue Jul 25 2017 - 11:48:40 PDT)
Meij, Henk
(Tue Jul 25 2017 - 10:49:58 PDT)
Ross Walker
(Tue Jul 25 2017 - 07:31:16 PDT)
Meij, Henk
(Tue Jul 25 2017 - 06:06:17 PDT)
Ross Walker
(Mon Jul 24 2017 - 12:16:09 PDT)
Meij, Henk
(Mon Jul 24 2017 - 11:20:39 PDT)
[AMBER] GPUs job and GUI issue
Hirdesh Kumar
(Mon Jul 10 2017 - 09:52:46 PDT)
Dow Hurst
(Sun Jul 09 2017 - 16:41:53 PDT)
Ross Walker
(Sat Jul 08 2017 - 21:28:53 PDT)
Pratul K. Agarwal
(Fri Jul 07 2017 - 17:02:21 PDT)
Hirdesh Kumar
(Fri Jul 07 2017 - 14:14:57 PDT)
Ross Walker
(Fri Jul 07 2017 - 11:28:12 PDT)
Pratul K. Agarwal
(Fri Jul 07 2017 - 10:33:53 PDT)
Hirdesh Kumar
(Fri Jul 07 2017 - 10:28:49 PDT)
[AMBER] Grid visualization for ions- doubt
maryvj1985
(Mon Jul 24 2017 - 22:54:05 PDT)
[AMBER] hbond analysis with CPPTRAJ
Daniel Roe
(Thu Jul 20 2017 - 07:08:13 PDT)
Daniel Roe
(Thu Jul 20 2017 - 06:34:01 PDT)
Baig abdullah Al muhit
(Mon Jul 17 2017 - 14:19:19 PDT)
Daniel Roe
(Mon Jul 17 2017 - 10:23:32 PDT)
Al Muhit, Baig Abdullah
(Sun Jul 16 2017 - 10:01:07 PDT)
Hai Nguyen
(Sun Jul 16 2017 - 09:54:37 PDT)
Baig abdullah Al muhit
(Sun Jul 16 2017 - 09:01:37 PDT)
Hai Nguyen
(Sun Jul 16 2017 - 08:55:17 PDT)
Baig abdullah Al muhit
(Sun Jul 16 2017 - 08:19:19 PDT)
Al Muhit, Baig Abdullah
(Sat Jul 15 2017 - 23:59:01 PDT)
[AMBER] HIE CONVERT INTO HID
Bill Ross
(Fri Jul 07 2017 - 14:30:22 PDT)
Rana Rehan Khalid
(Fri Jul 07 2017 - 14:20:19 PDT)
Bill Ross
(Fri Jul 07 2017 - 13:27:14 PDT)
Rana Rehan Khalid
(Fri Jul 07 2017 - 13:14:54 PDT)
Bill Ross
(Fri Jul 07 2017 - 12:51:10 PDT)
Rana Rehan Khalid
(Fri Jul 07 2017 - 12:44:11 PDT)
[AMBER] His getting protonated to HIP
David Case
(Fri Jul 21 2017 - 05:50:34 PDT)
Hirdesh Kumar
(Thu Jul 20 2017 - 20:13:00 PDT)
Thakur, Abhishek
(Thu Jul 20 2017 - 18:23:29 PDT)
Hai Nguyen
(Thu Jul 20 2017 - 16:22:21 PDT)
Thakur, Abhishek
(Thu Jul 20 2017 - 16:06:04 PDT)
Hai Nguyen
(Thu Jul 20 2017 - 16:00:06 PDT)
Thakur, Abhishek
(Thu Jul 20 2017 - 15:52:27 PDT)
Hai Nguyen
(Thu Jul 20 2017 - 15:32:49 PDT)
Adrian Roitberg
(Thu Jul 20 2017 - 15:29:44 PDT)
Thakur, Abhishek
(Thu Jul 20 2017 - 15:26:50 PDT)
[AMBER] how can i remove this error
Bill Ross
(Sun Jul 02 2017 - 15:23:58 PDT)
Rana Rehan Khalid
(Sun Jul 02 2017 - 15:21:44 PDT)
Rana Rehan Khalid
(Sun Jul 02 2017 - 15:12:22 PDT)
Bill Ross
(Sun Jul 02 2017 - 15:05:55 PDT)
Rana Rehan Khalid
(Sun Jul 02 2017 - 15:02:01 PDT)
Bill Ross
(Sun Jul 02 2017 - 14:42:57 PDT)
Rana Rehan Khalid
(Sun Jul 02 2017 - 14:23:00 PDT)
Rana Rehan Khalid
(Sun Jul 02 2017 - 14:20:30 PDT)
Bill Ross
(Sun Jul 02 2017 - 14:16:06 PDT)
Rana Rehan Khalid
(Sun Jul 02 2017 - 13:58:52 PDT)
Bill Ross
(Sun Jul 02 2017 - 13:55:18 PDT)
Rana Rehan Khalid
(Sun Jul 02 2017 - 13:53:15 PDT)
[AMBER] How continue a crached minimization step?
Bill Ross
(Tue Jul 04 2017 - 09:36:35 PDT)
Núbia Prates
(Tue Jul 04 2017 - 09:33:44 PDT)
Bill Ross
(Tue Jul 04 2017 - 08:01:03 PDT)
Núbia Prates
(Tue Jul 04 2017 - 07:24:10 PDT)
Bill Ross
(Mon Jul 03 2017 - 13:50:52 PDT)
Núbia Prates
(Mon Jul 03 2017 - 12:11:50 PDT)
Bill Ross
(Mon Jul 03 2017 - 11:21:05 PDT)
Elvis Martis
(Mon Jul 03 2017 - 08:04:30 PDT)
Núbia Prates
(Mon Jul 03 2017 - 07:38:34 PDT)
[AMBER] How do I perform LIE analysis for a metalloprotein containing Cd using Amber ?
Daniel Roe
(Thu Jul 20 2017 - 06:32:00 PDT)
Garima Singh
(Wed Jul 19 2017 - 02:50:39 PDT)
[AMBER] How to make a phenol monolayer
ABEL Stephane
(Sat Jul 29 2017 - 05:48:46 PDT)
Ramin Salimi
(Fri Jul 28 2017 - 10:54:23 PDT)
Elvis Martis
(Fri Jul 28 2017 - 09:35:46 PDT)
Ramin Salimi
(Fri Jul 28 2017 - 09:01:25 PDT)
Elvis Martis
(Fri Jul 28 2017 - 08:52:31 PDT)
Ramin Salimi
(Fri Jul 28 2017 - 08:48:30 PDT)
Elvis Martis
(Thu Jul 27 2017 - 20:48:29 PDT)
Ramin Salimi
(Thu Jul 27 2017 - 14:36:55 PDT)
[AMBER] How to perform analysis using ptraj
Luka Bilić
(Wed Jul 12 2017 - 01:14:03 PDT)
Hai Nguyen
(Tue Jul 11 2017 - 23:07:30 PDT)
Mustafa Alhaji Isa
(Tue Jul 11 2017 - 23:01:53 PDT)
[AMBER] How to use cpptraj in AMBER10 to generate RMSD and RMSF
Christina Bergonzo
(Mon Jul 31 2017 - 07:47:21 PDT)
Mustafa Alhaji Isa
(Mon Jul 31 2017 - 07:35:19 PDT)
[AMBER] icc version 17
Ryan Novosielski
(Thu Jul 06 2017 - 09:13:27 PDT)
Daniel Roe
(Wed Jul 05 2017 - 06:42:42 PDT)
Hector A. Baldoni
(Wed Jul 05 2017 - 06:27:49 PDT)
David A Case
(Wed Jul 05 2017 - 04:59:36 PDT)
Ross Walker
(Wed Jul 05 2017 - 04:48:59 PDT)
Fabrício Bracht
(Tue Jul 04 2017 - 20:41:07 PDT)
[AMBER] INSTALLING AMBER IN WINDOWS
David Case
(Sun Jul 23 2017 - 04:37:13 PDT)
K. Subashini
(Sun Jul 23 2017 - 01:08:49 PDT)
[AMBER] ion distribution-doubt
David A Case
(Thu Jul 20 2017 - 04:49:15 PDT)
Mary Varughese
(Wed Jul 19 2017 - 23:38:29 PDT)
[AMBER] Is it possible to align frames?
Daniel Roe
(Tue Jul 25 2017 - 05:34:56 PDT)
Elisa Pieri
(Mon Jul 24 2017 - 15:19:47 PDT)
Bill Ross
(Mon Jul 24 2017 - 15:10:10 PDT)
Elisa Pieri
(Mon Jul 24 2017 - 14:56:47 PDT)
Xing
(Mon Jul 24 2017 - 14:09:04 PDT)
Elisa Pieri
(Mon Jul 24 2017 - 12:59:17 PDT)
[AMBER] Log file for Reweighting
Parthiban Marimuthu
(Mon Jul 24 2017 - 11:51:21 PDT)
Daniel Roe
(Thu Jul 20 2017 - 14:16:08 PDT)
Parthiban Marimuthu
(Thu Jul 20 2017 - 13:23:55 PDT)
Daniel Roe
(Thu Jul 20 2017 - 06:27:56 PDT)
Parthiban Marimuthu
(Wed Jul 19 2017 - 12:48:12 PDT)
Parthiban Marimuthu
(Mon Jul 17 2017 - 14:58:50 PDT)
[AMBER] Manual parameterization of the TIP4P/2005 water model
David A Case
(Sat Jul 29 2017 - 06:20:05 PDT)
Hannes Konegger
(Thu Jul 27 2017 - 07:13:41 PDT)
[AMBER] MCPB.py error
Rana Rehan Khalid
(Tue Jul 04 2017 - 20:32:38 PDT)
[AMBER] MCPB.py error (MCPB.py -i 4ZF6.in -s 1) use default ions 7440
Pengfei Li
(Thu Jul 27 2017 - 12:15:48 PDT)
Rana Rehan Khalid
(Mon Jul 17 2017 - 12:45:35 PDT)
Rana Rehan Khalid
(Wed Jul 05 2017 - 12:48:45 PDT)
Rana Rehan Khalid
(Wed Jul 05 2017 - 11:21:10 PDT)
Rana Rehan Khalid
(Wed Jul 05 2017 - 11:16:54 PDT)
Rana Rehan Khalid
(Wed Jul 05 2017 - 10:22:59 PDT)
Andrew Schaub
(Wed Jul 05 2017 - 09:57:10 PDT)
David A Case
(Wed Jul 05 2017 - 09:19:41 PDT)
Rana Rehan Khalid
(Wed Jul 05 2017 - 07:44:55 PDT)
Rana Rehan Khalid
(Wed Jul 05 2017 - 07:31:03 PDT)
David A Case
(Wed Jul 05 2017 - 04:49:37 PDT)
Rana Rehan Khalid
(Tue Jul 04 2017 - 19:49:14 PDT)
Rana Rehan Khalid
(Mon Jul 03 2017 - 12:30:55 PDT)
Andrew Schaub
(Mon Jul 03 2017 - 12:18:46 PDT)
Rana Rehan Khalid
(Mon Jul 03 2017 - 11:51:57 PDT)
Andrew Schaub
(Mon Jul 03 2017 - 11:31:52 PDT)
Rana Rehan Khalid
(Mon Jul 03 2017 - 11:23:21 PDT)
Pengfei Li
(Mon Jul 03 2017 - 10:05:26 PDT)
Rana Rehan Khalid
(Sat Jul 01 2017 - 18:40:45 PDT)
Andrew Schaub
(Sat Jul 01 2017 - 17:57:12 PDT)
Rana Rehan Khalid
(Sat Jul 01 2017 - 17:47:52 PDT)
[AMBER] MCPB.py error step 2
Pengfei Li
(Wed Jul 05 2017 - 20:24:42 PDT)
Dr. M. Shahid
(Tue Jul 04 2017 - 07:25:52 PDT)
Lizelle Lubbe
(Tue Jul 04 2017 - 04:05:55 PDT)
[AMBER] MCPB.py issue
Pengfei Li
(Fri Jul 14 2017 - 13:42:25 PDT)
Aldo Segura Cabrera
(Thu Jul 13 2017 - 13:16:15 PDT)
Pengfei Li
(Thu Jul 13 2017 - 13:10:18 PDT)
Aldo Segura Cabrera
(Thu Jul 13 2017 - 13:06:09 PDT)
Pengfei Li
(Thu Jul 13 2017 - 12:09:09 PDT)
Aldo Segura Cabrera
(Wed Jul 12 2017 - 19:47:45 PDT)
[AMBER] Mcpb.py prepared .com input small file MCPB.py -i 4ZF6.in -s 1
Rana Rehan Khalid
(Tue Jul 25 2017 - 15:30:26 PDT)
[AMBER] MCPB.py tutorial - numbering issues
Pengfei Li
(Thu Jul 27 2017 - 12:52:26 PDT)
Daniel Roe
(Tue Jul 18 2017 - 07:21:24 PDT)
Szymon Żaczek
(Tue Jul 18 2017 - 01:07:23 PDT)
Daniel Roe
(Mon Jul 17 2017 - 16:09:09 PDT)
Szymon Żaczek
(Mon Jul 17 2017 - 11:54:33 PDT)
[AMBER] Mcpbpy empirical method
Pengfei Li
(Thu Jul 27 2017 - 12:11:15 PDT)
Lizelle Lubbe
(Mon Jul 24 2017 - 04:32:19 PDT)
[AMBER] micelle simulation
ABEL Stephane
(Wed Jul 12 2017 - 07:20:28 PDT)
Qinghua Liao
(Wed Jul 12 2017 - 05:47:49 PDT)
Meng Wu
(Wed Jul 12 2017 - 05:26:01 PDT)
[AMBER] micelle simulation problem
Bill Ross
(Sat Jul 15 2017 - 02:16:42 PDT)
Meng Wu
(Sat Jul 15 2017 - 01:03:46 PDT)
[AMBER] mismatch NTYPES for mixtures of 2 molecules
Bill Ross
(Fri Jul 07 2017 - 15:55:46 PDT)
Quynh Vo
(Fri Jul 07 2017 - 15:06:37 PDT)
David Case
(Fri Jul 07 2017 - 06:41:46 PDT)
Bill Ross
(Thu Jul 06 2017 - 17:10:42 PDT)
Quynh Vo
(Thu Jul 06 2017 - 16:28:30 PDT)
[AMBER] MMPBSA Delta total results
Ray Luo
(Fri Jul 07 2017 - 12:17:25 PDT)
David Case
(Fri Jul 07 2017 - 06:32:45 PDT)
Elvis Martis
(Thu Jul 06 2017 - 20:19:41 PDT)
NADIA RAHMAH
(Thu Jul 06 2017 - 19:38:20 PDT)
Elvis Martis
(Thu Jul 06 2017 - 19:03:10 PDT)
Ray Luo
(Thu Jul 06 2017 - 12:34:10 PDT)
Elvis Martis
(Thu Jul 06 2017 - 03:29:21 PDT)
NADIA RAHMAH
(Thu Jul 06 2017 - 02:49:42 PDT)
Elvis Martis
(Thu Jul 06 2017 - 02:27:53 PDT)
NADIA RAHMAH
(Thu Jul 06 2017 - 00:15:40 PDT)
[AMBER] MMPBSA maxitn warning with protein/dna complex
Ray Luo
(Sun Jul 02 2017 - 08:35:59 PDT)
Baker, Joseph
(Sat Jul 01 2017 - 19:19:07 PDT)
[AMBER] MMPBSA.py.MPI errors with prmtop files on PBS platform
Guqin Shi
(Sat Jul 08 2017 - 13:11:31 PDT)
Elvis Martis
(Sat Jul 08 2017 - 08:52:27 PDT)
Guqin Shi
(Sat Jul 08 2017 - 07:43:25 PDT)
Elvis Martis
(Fri Jul 07 2017 - 20:39:10 PDT)
Guqin Shi
(Fri Jul 07 2017 - 15:47:10 PDT)
[AMBER] MPI Error in Amber Installation
Hai Nguyen
(Tue Jul 25 2017 - 05:42:20 PDT)
Daniel Roe
(Tue Jul 25 2017 - 05:29:00 PDT)
Debasish Mandal
(Tue Jul 25 2017 - 02:10:05 PDT)
[AMBER] MPI error when trying to run heating
Daniela Rivas
(Tue Jul 04 2017 - 23:04:55 PDT)
Daniela Rivas
(Tue Jul 04 2017 - 17:18:37 PDT)
David Case
(Tue Jul 04 2017 - 07:02:42 PDT)
Bill Ross
(Tue Jul 04 2017 - 04:57:50 PDT)
Daniela Rivas
(Tue Jul 04 2017 - 04:36:45 PDT)
Bill Ross
(Tue Jul 04 2017 - 03:49:08 PDT)
Daniela Rivas
(Tue Jul 04 2017 - 03:34:27 PDT)
[AMBER] Mutating DNA bases
Debostuti Ghoshdastidar
(Thu Jul 27 2017 - 23:44:44 PDT)
Yogeeshwar Ajjugal
(Thu Jul 27 2017 - 23:37:02 PDT)
Yogeeshwar Ajjugal
(Thu Jul 27 2017 - 23:12:36 PDT)
Debostuti Ghoshdastidar
(Thu Jul 27 2017 - 22:02:16 PDT)
Vlad Cojocaru
(Thu Jul 27 2017 - 05:18:59 PDT)
Debostuti Ghoshdastidar
(Thu Jul 27 2017 - 05:12:08 PDT)
[AMBER] ncsu_smd codes with pmemd in Amber 16
Feng Pan
(Mon Jul 24 2017 - 14:11:33 PDT)
Yao Xiao
(Mon Jul 24 2017 - 13:58:51 PDT)
[AMBER] no output files of umbrella_file in ABMD
Qinghua Liao
(Sat Jul 15 2017 - 02:04:11 PDT)
Fabrício Bracht
(Thu Jul 13 2017 - 17:59:17 PDT)
Qinghua Liao
(Thu Jul 13 2017 - 14:45:04 PDT)
Feng Pan
(Thu Jul 13 2017 - 14:24:44 PDT)
Qinghua Liao
(Wed Jul 12 2017 - 05:37:29 PDT)
[AMBER] non-realistic energies in MMPBSA
giulia palermo
(Sat Jul 08 2017 - 10:09:44 PDT)
Jason Swails
(Thu Jul 06 2017 - 19:58:04 PDT)
giulia palermo
(Thu Jul 06 2017 - 11:45:31 PDT)
[AMBER] NVIDIA quadro 5000 with Intel Xeon server for Amber-16
David A Case
(Mon Jul 17 2017 - 10:30:22 PDT)
Daniel Roe
(Mon Jul 17 2017 - 10:13:27 PDT)
James Starlight
(Mon Jul 17 2017 - 09:01:07 PDT)
[AMBER] Orca interface for QM/MM
Goetz, Andreas
(Thu Jul 20 2017 - 17:20:31 PDT)
James Kress
(Thu Jul 20 2017 - 09:30:04 PDT)
Goetz, Andreas
(Wed Jul 19 2017 - 13:28:49 PDT)
James Kress
(Wed Jul 19 2017 - 10:03:28 PDT)
[AMBER] Osmotic Pressure Calculation in AMBER
David A Case
(Wed Jul 05 2017 - 04:52:21 PDT)
Xiaocong Wang
(Tue Jul 04 2017 - 20:27:17 PDT)
[AMBER] parmchk2 closing loop error
David Case
(Fri Jul 14 2017 - 17:45:00 PDT)
CA gmail
(Fri Jul 14 2017 - 02:08:43 PDT)
[AMBER] parmed validity off-diagonal LJ parameters
Daniel Roe
(Mon Jul 24 2017 - 05:55:56 PDT)
Lizelle Lubbe
(Sun Jul 23 2017 - 20:30:10 PDT)
Jason Swails
(Sun Jul 23 2017 - 20:21:54 PDT)
Lizelle Lubbe
(Thu Jul 13 2017 - 03:58:08 PDT)
Lizelle Lubbe
(Thu Jul 13 2017 - 02:03:31 PDT)
Daniel Roe
(Wed Jul 12 2017 - 06:30:05 PDT)
Lizelle Lubbe
(Wed Jul 12 2017 - 05:23:24 PDT)
Lizelle Lubbe
(Tue Jul 11 2017 - 08:00:59 PDT)
[AMBER] parmed/intermol gromacs to amber
Daniel Roe
(Thu Jul 20 2017 - 06:26:25 PDT)
Neha Gandhi
(Tue Jul 18 2017 - 17:56:38 PDT)
[AMBER] PBC problem with autoimage&image
Daniel Roe
(Mon Jul 31 2017 - 05:34:07 PDT)
Meng Wu
(Sun Jul 30 2017 - 20:33:49 PDT)
Hai Nguyen
(Thu Jul 27 2017 - 21:40:44 PDT)
Meng Wu
(Thu Jul 27 2017 - 21:37:06 PDT)
[AMBER] PCA - first mode of motion
Elvis Martis
(Thu Jul 13 2017 - 20:27:42 PDT)
Thakur, Abhishek
(Thu Jul 13 2017 - 14:46:25 PDT)
[AMBER] PMEMD module for Umbrella sampling
Supriyo Naskar
(Tue Jul 18 2017 - 22:12:03 PDT)
Feng Pan
(Tue Jul 18 2017 - 22:05:43 PDT)
Supriyo Naskar
(Tue Jul 18 2017 - 21:46:37 PDT)
Feng Pan
(Fri Jul 14 2017 - 20:36:36 PDT)
Supriyo Naskar
(Thu Jul 13 2017 - 21:45:42 PDT)
[AMBER] pmemd.cuda vs pmemd.cuda.MPI
Charles Lin
(Mon Jul 17 2017 - 08:16:17 PDT)
Saikat Pal
(Mon Jul 17 2017 - 05:03:21 PDT)
[AMBER] prepin file for CMP ligand
Prayagraj Fandilolu
(Thu Jul 13 2017 - 05:25:37 PDT)
ARMIN HODAEI
(Thu Jul 13 2017 - 04:40:29 PDT)
[AMBER] Principal component analysis with CPPTRAJ - PCA
Daniel Roe
(Wed Jul 05 2017 - 05:45:00 PDT)
Marcelo Andrade Chagas
(Mon Jul 03 2017 - 09:45:49 PDT)
Daniel Roe
(Mon Jul 03 2017 - 06:36:56 PDT)
Marcelo Andrade Chagas
(Sat Jul 01 2017 - 10:40:16 PDT)
[AMBER] problem Finding entropy
David A Case
(Thu Jul 20 2017 - 11:51:23 PDT)
Gustavo Seabra
(Thu Jul 20 2017 - 11:47:30 PDT)
Ramin Salimi
(Thu Jul 20 2017 - 10:40:28 PDT)
Ramin Salimi
(Thu Jul 20 2017 - 08:48:01 PDT)
David A Case
(Thu Jul 20 2017 - 08:16:47 PDT)
Ramin Salimi
(Thu Jul 20 2017 - 06:57:16 PDT)
Ramin Salimi
(Thu Jul 20 2017 - 06:54:00 PDT)
Adrian Roitberg
(Thu Jul 20 2017 - 06:50:28 PDT)
Ramin Salimi
(Thu Jul 20 2017 - 06:46:21 PDT)
Daniel Roe
(Thu Jul 20 2017 - 06:21:58 PDT)
Ramin Salimi
(Thu Jul 20 2017 - 05:37:49 PDT)
Ramin Salimi
(Wed Jul 19 2017 - 19:27:50 PDT)
David A Case
(Wed Jul 19 2017 - 05:33:09 PDT)
Ramin Salimi
(Tue Jul 18 2017 - 21:33:47 PDT)
[AMBER] Problem Imaging atoms of system crossing the PBC box from opposite faces of box at the same time
SHAILESH KUMAR
(Thu Jul 13 2017 - 14:01:47 PDT)
[AMBER] Problem in cuda for AMBER 14
Bill Ross
(Sun Jul 02 2017 - 19:23:18 PDT)
Mahendra B Thapa
(Sun Jul 02 2017 - 19:09:31 PDT)
[AMBER] problem in CUDA-enabled Amber11
David Case
(Sun Jul 16 2017 - 10:15:18 PDT)
Pooja Kesari
(Sun Jul 16 2017 - 06:35:36 PDT)
[AMBER] problem with cpptraj saving the average structure
Daniel Roe
(Mon Jul 10 2017 - 05:45:15 PDT)
Ramin Salimi
(Mon Jul 10 2017 - 03:07:21 PDT)
[AMBER] Problem with running mdout_analyzer.py
Krantzman, Kristin D
(Wed Jul 12 2017 - 16:18:58 PDT)
Bill Ross
(Wed Jul 12 2017 - 16:07:44 PDT)
Hai Nguyen
(Wed Jul 12 2017 - 16:06:01 PDT)
Bill Ross
(Wed Jul 12 2017 - 16:02:02 PDT)
Krantzman, Kristin D
(Wed Jul 12 2017 - 15:55:41 PDT)
Bill Ross
(Wed Jul 12 2017 - 15:44:56 PDT)
Bill Ross
(Wed Jul 12 2017 - 15:43:02 PDT)
Krantzman, Kristin D
(Wed Jul 12 2017 - 15:40:42 PDT)
[AMBER] Problems in using GLYCAM force field
Meng Wu
(Sun Jul 23 2017 - 04:16:31 PDT)
Lachele Foley
(Fri Jul 21 2017 - 05:39:14 PDT)
Meng Wu
(Fri Jul 21 2017 - 05:17:32 PDT)
[AMBER] pull a dimer apart in AMBER?
Xing
(Sun Jul 23 2017 - 21:48:56 PDT)
David Case
(Fri Jul 21 2017 - 05:38:33 PDT)
Xing
(Thu Jul 20 2017 - 14:44:02 PDT)
Elvis Martis
(Thu Jul 20 2017 - 03:23:30 PDT)
Xing
(Wed Jul 19 2017 - 18:27:11 PDT)
Thakur, Abhishek
(Wed Jul 19 2017 - 17:52:09 PDT)
Xing
(Wed Jul 19 2017 - 17:07:57 PDT)
Elvis Martis
(Tue Jul 04 2017 - 20:52:42 PDT)
Xing
(Tue Jul 04 2017 - 19:24:12 PDT)
[AMBER] pytraj multihedral attributes
Hai Nguyen
(Thu Jul 06 2017 - 09:09:07 PDT)
Robert Wohlhueter
(Thu Jul 06 2017 - 08:00:45 PDT)
[AMBER] QM/MM Minimization with restraints
Sonia Romero
(Wed Jul 19 2017 - 07:26:21 PDT)
diego.soler.uam.es
(Wed Jul 19 2017 - 06:23:34 PDT)
Sonia Romero
(Wed Jul 19 2017 - 06:07:45 PDT)
[AMBER] QM/MM with Gaussian
Xichong Liu
(Mon Jul 03 2017 - 06:51:34 PDT)
liu junjun
(Mon Jul 03 2017 - 06:15:26 PDT)
Xichong Liu
(Mon Jul 03 2017 - 02:53:57 PDT)
liu junjun
(Mon Jul 03 2017 - 02:51:11 PDT)
Xichong Liu
(Mon Jul 03 2017 - 02:24:38 PDT)
[AMBER] Query regarding 3D-RISM
Rakesh Srivastava
(Wed Jul 26 2017 - 21:55:14 PDT)
Tyler Luchko (Lists)
(Wed Jul 26 2017 - 09:01:42 PDT)
Rakesh Srivastava
(Wed Jul 26 2017 - 00:13:52 PDT)
David Cerutti
(Wed Jul 26 2017 - 00:11:19 PDT)
Rakesh Srivastava
(Tue Jul 25 2017 - 22:55:57 PDT)
[AMBER] Question about installing Amber16 on the intel Xeon phi computational server
Bill Ross
(Mon Jul 03 2017 - 23:47:42 PDT)
Mingyuan
(Mon Jul 03 2017 - 23:44:32 PDT)
[AMBER] question about the error when I start up the xleap
Ryan Novosielski
(Thu Jul 27 2017 - 23:39:36 PDT)
Elvis Martis
(Thu Jul 27 2017 - 21:47:39 PDT)
方煜
(Thu Jul 27 2017 - 21:42:14 PDT)
[AMBER] questions on MMPBSA
giulia palermo
(Sun Jul 02 2017 - 10:51:21 PDT)
[AMBER] RED ESP not working in these days
David Cerutti
(Tue Jul 04 2017 - 10:56:19 PDT)
Rana Rehan Khalid
(Tue Jul 04 2017 - 10:23:42 PDT)
[AMBER] Reproduction of MMPBSA Calculations on Processed Trajectories
Guqin Shi
(Tue Jul 04 2017 - 06:17:33 PDT)
[AMBER] Residue number in tleap not appropriate with residue number in pdb file
NADIA RAHMAH
(Thu Jul 06 2017 - 19:47:29 PDT)
David A Case
(Wed Jul 05 2017 - 04:40:52 PDT)
NADIA RAHMAH
(Tue Jul 04 2017 - 17:16:56 PDT)
Bill Ross
(Tue Jul 04 2017 - 08:49:32 PDT)
NADIA RAHMAH
(Tue Jul 04 2017 - 08:00:44 PDT)
[AMBER] RESP charge fitting error in MCPB.py V3.0
Pengfei Li
(Mon Jul 10 2017 - 19:22:42 PDT)
liu junjun
(Mon Jul 10 2017 - 02:23:38 PDT)
abdennour braka
(Mon Jul 10 2017 - 00:45:47 PDT)
abdennour braka
(Fri Jul 07 2017 - 07:34:08 PDT)
[AMBER] Sander doing the minimisation but stopping at the first heating step, not generating rst or nc files
Bill Ross
(Thu Jul 20 2017 - 13:00:24 PDT)
Hai Nguyen
(Thu Jul 20 2017 - 12:38:41 PDT)
Alonso Martinez, Diego
(Thu Jul 20 2017 - 12:33:00 PDT)
Bill Ross
(Thu Jul 20 2017 - 12:23:55 PDT)
Adrian Roitberg
(Thu Jul 20 2017 - 12:23:34 PDT)
Alonso Martinez, Diego
(Thu Jul 20 2017 - 12:19:39 PDT)
Adrian Roitberg
(Thu Jul 20 2017 - 12:04:35 PDT)
Alonso Martinez, Diego
(Thu Jul 20 2017 - 11:58:46 PDT)
Carlos Simmerling
(Thu Jul 20 2017 - 06:40:57 PDT)
Adrian Roitberg
(Thu Jul 20 2017 - 06:22:36 PDT)
Alonso Martinez, Diego
(Thu Jul 20 2017 - 06:05:39 PDT)
[AMBER] Sander MPI running over multiple nodes.
Daniel Roe
(Wed Jul 12 2017 - 07:08:48 PDT)
Robinson, Roger
(Wed Jul 12 2017 - 06:45:44 PDT)
[AMBER] SASA calculation using LCPO method
Daniel Roe
(Mon Jul 24 2017 - 05:47:31 PDT)
Garima Singh
(Mon Jul 24 2017 - 04:34:58 PDT)
[AMBER] SDF (Spatial Distribution Function) calculation
Daniel Roe
(Wed Jul 12 2017 - 07:46:23 PDT)
Saikat Pal
(Wed Jul 12 2017 - 07:29:35 PDT)
Daniel Roe
(Wed Jul 12 2017 - 06:10:23 PDT)
Saikat Pal
(Wed Jul 12 2017 - 06:06:00 PDT)
[AMBER] Selecting solvationBox size to simulate a mobile multidomain protein
Daniel Roe
(Mon Jul 10 2017 - 06:01:11 PDT)
Dmitry Suplatov
(Wed Jul 05 2017 - 10:26:19 PDT)
Dmitry Suplatov
(Mon Jul 03 2017 - 11:32:49 PDT)
[AMBER] Set-up the GPU cluster for AMBER
David Case
(Sun Jul 16 2017 - 10:31:41 PDT)
James Starlight
(Sun Jul 16 2017 - 06:49:25 PDT)
[AMBER] Simulation of the mechanical stress
James Starlight
(Fri Jul 21 2017 - 04:40:59 PDT)
James Starlight
(Fri Jul 21 2017 - 01:44:48 PDT)
James Starlight
(Thu Jul 20 2017 - 05:30:34 PDT)
David A Case
(Thu Jul 20 2017 - 04:52:29 PDT)
James Starlight
(Thu Jul 20 2017 - 02:14:23 PDT)
[AMBER] Simulation of the mechanical stress in Amber
James Starlight
(Mon Jul 17 2017 - 00:53:32 PDT)
[AMBER] Suggestions about Center and Image for multiple-molecule complex
Guqin Shi
(Wed Jul 12 2017 - 15:57:26 PDT)
Bill Ross
(Wed Jul 12 2017 - 15:36:52 PDT)
Hai Nguyen
(Wed Jul 12 2017 - 15:20:12 PDT)
Hai Nguyen
(Wed Jul 12 2017 - 15:18:06 PDT)
Bill Ross
(Wed Jul 12 2017 - 15:07:02 PDT)
Guqin Shi
(Wed Jul 12 2017 - 14:54:34 PDT)
Bill Ross
(Wed Jul 12 2017 - 14:37:58 PDT)
Guqin Shi
(Wed Jul 12 2017 - 14:34:02 PDT)
Daniel Roe
(Wed Jul 12 2017 - 07:39:37 PDT)
Guqin Shi
(Wed Jul 12 2017 - 07:32:10 PDT)
Daniel Roe
(Wed Jul 12 2017 - 07:03:12 PDT)
Daniel Roe
(Wed Jul 12 2017 - 07:01:49 PDT)
Guqin Shi
(Wed Jul 12 2017 - 06:55:15 PDT)
Guqin Shi
(Wed Jul 12 2017 - 06:53:39 PDT)
Daniel Roe
(Wed Jul 12 2017 - 05:07:22 PDT)
Guqin Shi
(Tue Jul 11 2017 - 13:35:27 PDT)
Daniel Roe
(Tue Jul 11 2017 - 12:52:14 PDT)
Guqin Shi
(Tue Jul 11 2017 - 10:41:58 PDT)
David Case
(Tue Jul 11 2017 - 10:16:59 PDT)
Guqin Shi
(Tue Jul 11 2017 - 08:46:39 PDT)
Guqin Shi
(Tue Jul 11 2017 - 06:43:51 PDT)
Daniel Roe
(Tue Jul 11 2017 - 06:00:47 PDT)
Guqin Shi
(Mon Jul 10 2017 - 10:05:17 PDT)
Daniel Roe
(Mon Jul 10 2017 - 09:29:15 PDT)
Guqin Shi
(Mon Jul 10 2017 - 09:15:29 PDT)
David Case
(Mon Jul 10 2017 - 05:51:08 PDT)
Daniel Roe
(Mon Jul 10 2017 - 05:32:15 PDT)
Bill Ross
(Sun Jul 09 2017 - 21:51:01 PDT)
Guqin Shi
(Sun Jul 09 2017 - 19:31:42 PDT)
Bill Ross
(Sat Jul 08 2017 - 23:31:54 PDT)
Bill Ross
(Sat Jul 08 2017 - 21:01:43 PDT)
Bill Ross
(Sat Jul 08 2017 - 21:00:06 PDT)
Guqin Shi
(Sat Jul 08 2017 - 20:34:45 PDT)
Bill Ross
(Sat Jul 08 2017 - 19:22:02 PDT)
Guqin Shi
(Sat Jul 08 2017 - 19:06:46 PDT)
Daniel Roe
(Sat Jul 08 2017 - 17:02:23 PDT)
Guqin Shi
(Sat Jul 08 2017 - 15:58:53 PDT)
[AMBER] TI/FEP on GPU in Amber?
liu junjun
(Mon Jul 03 2017 - 01:41:16 PDT)
[AMBER] tleap atom type and hybridization
Pengfei Li
(Thu Jul 13 2017 - 12:25:38 PDT)
Lizelle Lubbe
(Tue Jul 11 2017 - 03:56:58 PDT)
Pengfei Li
(Mon Jul 10 2017 - 19:27:58 PDT)
David Case
(Mon Jul 10 2017 - 19:05:39 PDT)
Lizelle Lubbe
(Mon Jul 10 2017 - 05:13:25 PDT)
Lizelle Lubbe
(Mon Jul 10 2017 - 05:04:06 PDT)
[AMBER] Umbrella sampling and weighted histogram analysis for binding energy calculation
Investigador Química
(Fri Jul 14 2017 - 11:40:04 PDT)
[AMBER] Use energy fluctuations as the criterion of equilibrium in the NPT ensembles?
Daniel Roe
(Thu Jul 20 2017 - 06:29:28 PDT)
Xing
(Wed Jul 19 2017 - 17:02:33 PDT)
[AMBER] Use of DFTB3 with Dispersion Correction
Christian Wiebeler
(Sun Jul 23 2017 - 10:36:21 PDT)
[AMBER] Using AMBER FF in NAMD to study Steered Molecular Dynamics (SMD)
David A Case
(Thu Jul 06 2017 - 04:32:22 PDT)
Bharat Manna
(Thu Jul 06 2017 - 03:00:40 PDT)
[AMBER] using PCA to find entropy
David A Case
(Mon Jul 03 2017 - 05:17:49 PDT)
Ramin Salimi
(Sun Jul 02 2017 - 23:06:54 PDT)
[AMBER] vlimit error
sangita kachhap
(Wed Jul 19 2017 - 14:09:39 PDT)
David A Case
(Wed Jul 19 2017 - 08:51:04 PDT)
sangita kachhap
(Wed Jul 19 2017 - 07:54:01 PDT)
[AMBER] wheel representation of torsional angle
Saikat Pal
(Tue Jul 25 2017 - 06:28:47 PDT)
[AMBER] xleap editor
Rana Rehan Khalid
(Tue Jul 04 2017 - 00:38:57 PDT)
Elvis Martis
(Tue Jul 04 2017 - 00:34:03 PDT)
Bill Ross
(Tue Jul 04 2017 - 00:33:38 PDT)
Rana Rehan Khalid
(Tue Jul 04 2017 - 00:14:21 PDT)
Bill Ross
(Mon Jul 03 2017 - 23:25:41 PDT)
Rana Rehan Khalid
(Mon Jul 03 2017 - 21:42:46 PDT)
[AMBER] xleap fonts
David Case
(Fri Jul 14 2017 - 18:03:29 PDT)
Robert Wohlhueter
(Mon Jul 10 2017 - 11:51:14 PDT)
[AMBER] 答复: About steered MD with pmemd and NMR restraints
Yao Xiao
(Thu Jul 13 2017 - 09:21:55 PDT)
[AMBER] 答复: ncsu_smd codes with pmemd in Amber 16
Feng Pan
(Mon Jul 24 2017 - 19:27:45 PDT)
Yao Xiao
(Mon Jul 24 2017 - 14:55:16 PDT)
[AMBER] 答复: 答复: ncsu_smd codes with pmemd in Amber 16
Feng Pan
(Wed Jul 26 2017 - 10:37:38 PDT)
Yao Xiao
(Tue Jul 25 2017 - 12:47:59 PDT)
hbond analysis with CPPTRAJ
Al Muhit, Baig Abdullah
(Sat Jul 15 2017 - 17:05:43 PDT)
Problem in cuda for AMBER 14
Bill Ross
(Sun Jul 02 2017 - 19:33:20 PDT)
Mahendra B Thapa
(Sun Jul 02 2017 - 19:30:52 PDT)
Last message date
:
Mon Jul 31 2017 - 15:00:02 PDT
Archived on
: Wed Dec 25 2024 - 05:55:33 PST
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