Amber Archive Nov 2016 by subject
577 messages
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Starting
Tue Nov 01 2016 - 02:00:03 PDT,
Ending
Wed Nov 30 2016 - 16:00:03 PST
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[AMBER] 20161121141138.GE88784.scarletmail.rutgers.edu
Taylor, Miles
(Wed Nov 23 2016 - 07:56:48 PST)
David Cerutti
(Mon Nov 21 2016 - 13:20:57 PST)
Taylor, Miles
(Mon Nov 21 2016 - 12:36:36 PST)
[AMBER] [Amber] Calculating Normal Modes with Restrictions
The Cromicus Productions
(Tue Nov 22 2016 - 06:49:26 PST)
The Cromicus Productions
(Tue Nov 22 2016 - 06:30:50 PST)
David A Case
(Tue Nov 22 2016 - 05:11:35 PST)
The Cromicus Productions
(Mon Nov 21 2016 - 17:00:26 PST)
[AMBER] [Amber] How to convert vector files (.pev) into coordinate files (.pdb)
The Cromicus Productions
(Fri Nov 18 2016 - 17:12:39 PST)
Hai Nguyen
(Fri Nov 18 2016 - 17:09:35 PST)
The Cromicus Productions
(Fri Nov 18 2016 - 16:29:10 PST)
Hai Nguyen
(Fri Nov 18 2016 - 13:06:33 PST)
The Cromicus Productions
(Fri Nov 18 2016 - 13:02:11 PST)
Hai Nguyen
(Fri Nov 18 2016 - 10:30:01 PST)
The Cromicus Productions
(Fri Nov 18 2016 - 10:26:21 PST)
[AMBER] [mdout_analyzer.py] Problem with OS X El Capitan
Jason Swails
(Tue Nov 01 2016 - 06:13:49 PDT)
Eiros Zamora, Juan
(Tue Nov 01 2016 - 06:11:45 PDT)
Eiros Zamora, Juan
(Tue Nov 01 2016 - 05:59:46 PDT)
[AMBER] About multiconformations RESP fitting
Marion, Antoine
(Fri Nov 25 2016 - 01:40:07 PST)
FyD
(Fri Nov 25 2016 - 00:07:34 PST)
Marion, Antoine
(Thu Nov 24 2016 - 05:38:45 PST)
FyD
(Thu Nov 24 2016 - 02:32:38 PST)
Marion, Antoine
(Thu Nov 24 2016 - 01:06:32 PST)
David Cerutti
(Wed Nov 23 2016 - 10:40:17 PST)
Marion, Antoine
(Wed Nov 23 2016 - 09:29:29 PST)
David Cerutti
(Wed Nov 23 2016 - 08:27:01 PST)
Marion, Antoine
(Wed Nov 23 2016 - 07:39:16 PST)
[AMBER] AMBER Digest, Vol 1763, Issue 1
冯国强
(Tue Nov 22 2016 - 00:52:41 PST)
[AMBER] AMBER FF for intrinsically disordered protein
Neha Gandhi
(Tue Nov 08 2016 - 19:56:46 PST)
giulia palermo
(Tue Nov 08 2016 - 19:53:35 PST)
[AMBER] AMBER Materials modelling- periodic image
Pengfei Li
(Mon Nov 28 2016 - 13:17:21 PST)
Neha Gandhi
(Sun Nov 27 2016 - 21:41:46 PST)
[AMBER] ambmask issue
Aseel Bala
(Thu Nov 17 2016 - 10:21:11 PST)
Aseel Bala
(Thu Nov 10 2016 - 15:22:18 PST)
Hai Nguyen
(Thu Nov 10 2016 - 15:11:29 PST)
Aseel Bala
(Thu Nov 10 2016 - 15:08:01 PST)
[AMBER] aMD with dt=0.004
Nhai
(Wed Nov 23 2016 - 07:47:16 PST)
Thakur, Abhishek
(Wed Nov 23 2016 - 06:53:34 PST)
[AMBER] Are Intel compilers free for academics?
David A Case
(Fri Nov 04 2016 - 05:08:32 PDT)
[AMBER] ATP Parameters for ff14SB
David A Case
(Wed Nov 16 2016 - 17:38:13 PST)
David Cerutti
(Wed Nov 16 2016 - 14:07:23 PST)
Stevens, David Ryan
(Wed Nov 16 2016 - 13:57:21 PST)
[AMBER] Can ff14SB be used instead of ff10 for CpHMD simulations?
Carlos Simmerling
(Mon Nov 07 2016 - 06:10:11 PST)
Adrian Roitberg
(Mon Nov 07 2016 - 06:02:17 PST)
Eric Lang
(Mon Nov 07 2016 - 03:29:57 PST)
Jason Swails
(Fri Nov 04 2016 - 12:52:26 PDT)
Carlos Simmerling
(Fri Nov 04 2016 - 08:22:16 PDT)
Eric Lang
(Fri Nov 04 2016 - 08:08:55 PDT)
[AMBER] can not find chamber in amber16?
Nhai
(Fri Nov 04 2016 - 09:34:04 PDT)
Neale, Christopher Andrew
(Fri Nov 04 2016 - 09:25:51 PDT)
[AMBER] Can we combine amber and gaff atom types?
David Cerutti
(Thu Nov 03 2016 - 10:13:21 PDT)
Aditya G Rao
(Thu Nov 03 2016 - 09:39:58 PDT)
David Cerutti
(Wed Nov 02 2016 - 13:44:42 PDT)
Carlos Simmerling
(Wed Nov 02 2016 - 07:16:29 PDT)
Aditya G Rao
(Wed Nov 02 2016 - 06:55:12 PDT)
[AMBER] cap the 5' phosphate of a RNA
Mohaddeseh Habibzadeh
(Mon Nov 21 2016 - 11:48:23 PST)
[AMBER] compatibility
Magno .
(Wed Nov 16 2016 - 10:13:16 PST)
[AMBER] Compatibility of Amber parameters for FF99 and FF14SB forcefields
Carlos Simmerling
(Tue Nov 15 2016 - 08:25:12 PST)
DmitryASuplatov
(Tue Nov 15 2016 - 08:12:45 PST)
[AMBER] compute RESP charges
asdda asa
(Thu Nov 10 2016 - 14:14:00 PST)
Dr. Anselm Horn
(Thu Nov 10 2016 - 02:21:31 PST)
asdda asa
(Wed Nov 09 2016 - 14:16:45 PST)
[AMBER] Constant pH charge set
Jason Swails
(Thu Nov 10 2016 - 06:22:12 PST)
Fabrício Bracht
(Thu Nov 10 2016 - 06:05:42 PST)
[AMBER] Constraints
Jason Swails
(Tue Nov 15 2016 - 11:20:07 PST)
Roitberg,Adrian E
(Tue Nov 15 2016 - 06:21:01 PST)
David A Case
(Tue Nov 15 2016 - 05:19:34 PST)
Ol Sta
(Fri Nov 11 2016 - 06:34:07 PST)
[AMBER] Convert mdcrd files into pbd files
Daniel Roe
(Sun Nov 27 2016 - 11:01:15 PST)
Nhai
(Fri Nov 25 2016 - 14:52:28 PST)
The Cromicus Productions
(Fri Nov 25 2016 - 14:47:00 PST)
[AMBER] Convert prm into prmtop - from NAMD to AMBER
The Cromicus Productions
(Mon Nov 21 2016 - 11:43:44 PST)
Amy Rice
(Mon Nov 21 2016 - 11:39:05 PST)
The Cromicus Productions
(Mon Nov 21 2016 - 11:36:27 PST)
Hai Nguyen
(Mon Nov 21 2016 - 11:29:31 PST)
The Cromicus Productions
(Mon Nov 21 2016 - 11:21:43 PST)
[AMBER] Converting a PDB Collection to a NetCDF trajectory
Christina Bergonzo
(Fri Nov 18 2016 - 12:30:48 PST)
Hai Nguyen
(Fri Nov 18 2016 - 12:19:33 PST)
Dmitry Suplatov
(Fri Nov 18 2016 - 12:11:41 PST)
[AMBER] Converting coordinate file generated into pdb format for nuparm
ABHIJEET CHOWDHURY
(Thu Nov 17 2016 - 06:52:33 PST)
Nhai
(Thu Nov 17 2016 - 06:44:11 PST)
ABHIJEET CHOWDHURY
(Thu Nov 17 2016 - 06:39:02 PST)
David A Case
(Thu Nov 17 2016 - 05:45:46 PST)
ABHIJEET CHOWDHURY
(Thu Nov 17 2016 - 04:43:59 PST)
[AMBER] Coordinates for PEG4K, Folic acid and chitin
Abdul Ajees
(Tue Nov 08 2016 - 03:02:37 PST)
[AMBER] Could not find enough velocities in .rst
Ruth Helena Tichauer
(Wed Nov 23 2016 - 05:33:33 PST)
Daniel Roe
(Wed Nov 23 2016 - 05:02:42 PST)
Ruth Helena Tichauer
(Wed Nov 23 2016 - 01:52:23 PST)
Daniel Roe
(Tue Nov 22 2016 - 10:28:08 PST)
Ruth Helena Tichauer
(Tue Nov 22 2016 - 09:21:32 PST)
[AMBER] covalently bound ligand
FyD
(Mon Nov 14 2016 - 23:36:17 PST)
David A Case
(Mon Nov 14 2016 - 18:08:18 PST)
Ahsan Mohd
(Mon Nov 14 2016 - 10:20:14 PST)
[AMBER] cpptraj - trouble with autoimage and triclinic truncated octahedron DCD from NAMD
Daniel Roe
(Wed Nov 30 2016 - 11:18:17 PST)
Daniel Roe
(Tue Nov 29 2016 - 13:02:44 PST)
Brian Radak
(Tue Nov 29 2016 - 11:34:18 PST)
Daniel Roe
(Tue Nov 29 2016 - 11:26:29 PST)
Brian Radak
(Tue Nov 29 2016 - 10:56:50 PST)
Daniel Roe
(Tue Nov 29 2016 - 10:48:38 PST)
Brian Radak
(Tue Nov 29 2016 - 10:24:05 PST)
[AMBER] CPPTRAJ cluster analysis: Segmentation fault (core dumped)
Daniel Roe
(Tue Nov 08 2016 - 08:17:35 PST)
Michael Shokhen
(Tue Nov 08 2016 - 07:38:40 PST)
Daniel Roe
(Tue Nov 08 2016 - 06:56:51 PST)
Samuel Bowerman
(Tue Nov 08 2016 - 06:23:31 PST)
Michael Shokhen
(Tue Nov 08 2016 - 05:28:06 PST)
[AMBER] cpptraj error: 'cluster': Command not found.
Ruth Helena Tichauer
(Fri Nov 04 2016 - 01:51:17 PDT)
Daniel Roe
(Thu Nov 03 2016 - 18:41:21 PDT)
Ruth Helena Tichauer
(Thu Nov 03 2016 - 08:59:45 PDT)
[AMBER] cpptraj RMSD calculation with mismatch residue numbers
Daniel Roe
(Wed Nov 30 2016 - 13:07:00 PST)
anu chandra
(Fri Nov 18 2016 - 05:12:32 PST)
Nhai
(Wed Nov 16 2016 - 15:26:16 PST)
anu chandra
(Wed Nov 16 2016 - 15:02:04 PST)
[AMBER] cpptraj: RMSD vs Residue Number.
Daniel Roe
(Fri Nov 11 2016 - 04:10:26 PST)
Saman Yousuf ali
(Fri Nov 11 2016 - 00:48:23 PST)
[AMBER] creating 5' phosphate groups
Mohaddeseh Habibzadeh
(Sun Nov 27 2016 - 10:05:57 PST)
David A Case
(Sun Nov 27 2016 - 05:44:06 PST)
Mohaddeseh Habibzadeh
(Sun Nov 27 2016 - 03:12:22 PST)
David A Case
(Mon Nov 21 2016 - 14:36:13 PST)
[AMBER] creating parameters for integrins
Tsibela German Tebello Mofokeng
(Thu Nov 17 2016 - 23:40:38 PST)
Nhai
(Thu Nov 17 2016 - 09:44:00 PST)
Tsibela German Tebello Mofokeng
(Thu Nov 17 2016 - 09:22:03 PST)
[AMBER] CUDA version for Amber14
Ross Walker
(Thu Nov 10 2016 - 06:57:27 PST)
Sofia Vasilakaki
(Wed Nov 09 2016 - 14:17:39 PST)
[AMBER] cudaMemcpy GpuBuffer::Download failed an illegal memory access was encountered
David A Case
(Fri Nov 04 2016 - 04:58:41 PDT)
Andreas Tosstorff
(Thu Nov 03 2016 - 05:15:47 PDT)
[AMBER] cudaMemcpyToSymbol Error
Ross Walker
(Mon Nov 28 2016 - 05:46:45 PST)
Charles Lin
(Mon Nov 28 2016 - 01:28:46 PST)
Charles Lin
(Mon Nov 28 2016 - 01:27:35 PST)
cuiyinglukitty
(Mon Nov 28 2016 - 00:45:48 PST)
[AMBER] DIfferences between thermostats
Gustavo Seabra
(Thu Nov 24 2016 - 05:23:58 PST)
Markowska
(Thu Nov 24 2016 - 05:10:43 PST)
Gustavo Seabra
(Thu Nov 24 2016 - 04:58:43 PST)
Markowska
(Wed Nov 23 2016 - 14:45:17 PST)
David Cerutti
(Wed Nov 23 2016 - 14:04:48 PST)
Markowska
(Wed Nov 23 2016 - 13:26:54 PST)
Gustavo Seabra
(Wed Nov 23 2016 - 13:22:32 PST)
Markowska
(Wed Nov 23 2016 - 10:54:16 PST)
Gustavo Seabra
(Wed Nov 23 2016 - 08:45:47 PST)
Nhai
(Wed Nov 23 2016 - 07:57:59 PST)
Marc van der Kamp
(Wed Nov 23 2016 - 07:53:48 PST)
David Cerutti
(Wed Nov 23 2016 - 07:48:24 PST)
Markowska
(Wed Nov 23 2016 - 00:14:47 PST)
David A Case
(Tue Nov 22 2016 - 17:36:46 PST)
David Cerutti
(Tue Nov 22 2016 - 15:40:04 PST)
Adrian Roitberg
(Tue Nov 22 2016 - 15:28:14 PST)
David Cerutti
(Tue Nov 22 2016 - 14:42:05 PST)
Geoffrey Gray
(Tue Nov 22 2016 - 14:09:32 PST)
Gustavo Seabra
(Tue Nov 22 2016 - 12:13:11 PST)
Markowska
(Tue Nov 22 2016 - 12:06:24 PST)
Geoffrey Gray
(Tue Nov 22 2016 - 11:38:30 PST)
Gustavo Seabra
(Tue Nov 22 2016 - 11:38:06 PST)
Markowska
(Tue Nov 22 2016 - 11:31:18 PST)
[AMBER] Distorsion in water box size and shape
Mahrukh Imtiaz
(Wed Nov 23 2016 - 22:13:14 PST)
[AMBER] dlpc membrane
David A Case
(Tue Nov 15 2016 - 06:29:16 PST)
jojartb.jgypk.u-szeged.hu
(Mon Nov 14 2016 - 21:17:49 PST)
David A Case
(Mon Nov 14 2016 - 18:00:17 PST)
jojartb.jgypk.u-szeged.hu
(Mon Nov 14 2016 - 09:26:22 PST)
Nhai
(Mon Nov 14 2016 - 08:55:48 PST)
jojartb.jgypk.u-szeged.hu
(Mon Nov 14 2016 - 08:41:16 PST)
David A Case
(Mon Nov 14 2016 - 08:18:07 PST)
jojartb.jgypk.u-szeged.hu
(Mon Nov 14 2016 - 05:38:28 PST)
David A Case
(Mon Nov 14 2016 - 04:51:26 PST)
jojartb.jgypk.u-szeged.hu
(Mon Nov 14 2016 - 03:05:17 PST)
Batuhan Kav
(Mon Nov 14 2016 - 02:36:05 PST)
jojartb.jgypk.u-szeged.hu
(Mon Nov 14 2016 - 01:45:03 PST)
[AMBER] do_debugf changes energy
Ulf Ryde
(Fri Nov 04 2016 - 00:25:27 PDT)
David Cerutti
(Thu Nov 03 2016 - 23:43:37 PDT)
Ulf Ryde
(Thu Nov 03 2016 - 23:25:11 PDT)
[AMBER] Dynamic at high temperature
Carlos Simmerling
(Fri Nov 25 2016 - 10:24:13 PST)
David A Case
(Fri Nov 25 2016 - 05:44:21 PST)
Imma Speciale
(Fri Nov 25 2016 - 03:49:01 PST)
[AMBER] Energy decomposition of free energy profiles
wjli
(Tue Nov 15 2016 - 17:46:53 PST)
[AMBER] enhanced sampling conformations by AMD
Eric Lang
(Wed Nov 09 2016 - 01:50:10 PST)
Kat G
(Mon Nov 07 2016 - 09:03:29 PST)
[AMBER] Error for copper atom type
Elvis Martis
(Tue Nov 29 2016 - 21:40:10 PST)
Shreeramesh
(Tue Nov 29 2016 - 18:26:02 PST)
[AMBER] error in antechamber
David A Case
(Fri Nov 11 2016 - 17:14:55 PST)
Nehad Elsalamouny
(Fri Nov 11 2016 - 16:10:17 PST)
[AMBER] Error in running FEW calculations
Hannes Loeffler
(Wed Nov 09 2016 - 00:51:25 PST)
Miguel Rivera
(Wed Nov 09 2016 - 00:44:34 PST)
Hannes Loeffler
(Wed Nov 09 2016 - 00:39:31 PST)
Miguel Rivera
(Wed Nov 09 2016 - 00:26:49 PST)
Hannes Loeffler
(Wed Nov 09 2016 - 00:21:39 PST)
Miguel Rivera
(Tue Nov 08 2016 - 12:50:23 PST)
[AMBER] Error in the production of heat.rst file
Hai Nguyen
(Thu Nov 03 2016 - 17:55:16 PDT)
Stacyann Nelson
(Thu Nov 03 2016 - 17:20:51 PDT)
David A Case
(Thu Nov 03 2016 - 04:48:33 PDT)
Elvis Martis
(Wed Nov 02 2016 - 21:05:26 PDT)
Stacyann Nelson
(Wed Nov 02 2016 - 20:44:47 PDT)
Elvis Martis
(Wed Nov 02 2016 - 20:08:18 PDT)
Stacyann Nelson
(Wed Nov 02 2016 - 17:32:33 PDT)
[AMBER] Error, charge not integral
Fabrício Bracht
(Wed Nov 23 2016 - 03:29:12 PST)
Lachele Foley
(Wed Nov 23 2016 - 03:01:13 PST)
Bill Ross
(Wed Nov 23 2016 - 02:59:32 PST)
Fabrício Bracht
(Wed Nov 23 2016 - 02:39:39 PST)
Fabrício Bracht
(Wed Nov 23 2016 - 02:26:46 PST)
[AMBER] Etot = ************** with dtt=0.004
Ross Walker
(Mon Nov 28 2016 - 12:21:35 PST)
Nhai
(Mon Nov 28 2016 - 10:01:38 PST)
Thakur, Abhishek
(Mon Nov 28 2016 - 09:45:25 PST)
Carlos Simmerling
(Mon Nov 28 2016 - 09:22:13 PST)
Thakur, Abhishek
(Mon Nov 28 2016 - 09:15:12 PST)
Thakur, Abhishek
(Mon Nov 28 2016 - 09:06:21 PST)
Roitberg,Adrian E
(Mon Nov 28 2016 - 08:47:43 PST)
Thakur, Abhishek
(Mon Nov 28 2016 - 08:43:09 PST)
Carlos Simmerling
(Mon Nov 28 2016 - 08:39:05 PST)
Thakur, Abhishek
(Mon Nov 28 2016 - 08:29:40 PST)
[AMBER] Extract temperature of a subsytem
Daniel Roe
(Fri Nov 25 2016 - 07:55:40 PST)
Nhai
(Fri Nov 25 2016 - 07:54:46 PST)
diego.soler.uam.es
(Fri Nov 25 2016 - 06:15:53 PST)
Gustavo Seabra
(Fri Nov 25 2016 - 05:24:19 PST)
diego.soler.uam.es
(Fri Nov 25 2016 - 03:22:15 PST)
[AMBER] extracting velocities from rst7 file
Daniel Roe
(Thu Nov 17 2016 - 15:05:18 PST)
Nhai
(Thu Nov 17 2016 - 14:54:24 PST)
giulia palermo
(Thu Nov 17 2016 - 13:39:07 PST)
Daniel Roe
(Thu Nov 17 2016 - 13:00:12 PST)
Hai Nguyen
(Thu Nov 17 2016 - 12:58:09 PST)
giulia palermo
(Thu Nov 17 2016 - 10:55:59 PST)
[AMBER] Failed to install mpirun
Charles Lin
(Thu Nov 03 2016 - 11:39:02 PDT)
Charles Lin
(Thu Nov 03 2016 - 11:35:02 PDT)
Adrian Roitberg
(Thu Nov 03 2016 - 11:00:19 PDT)
Nikolay N. Kuzmich
(Thu Nov 03 2016 - 10:58:30 PDT)
[AMBER] Filename being truncated by pmemd.cuda
David A Case
(Mon Nov 14 2016 - 12:31:53 PST)
Andreas Tosstorff
(Mon Nov 14 2016 - 08:19:56 PST)
Adrian Roitberg
(Mon Nov 14 2016 - 08:16:25 PST)
Andreas Tosstorff
(Mon Nov 14 2016 - 08:14:03 PST)
[AMBER] Force field files for ff99IDPs
Carlos Simmerling
(Wed Nov 30 2016 - 05:10:12 PST)
barsha bharadwaz
(Wed Nov 30 2016 - 05:04:49 PST)
[AMBER] Fwd: Normal Mode Analysis
Imma Speciale
(Tue Nov 22 2016 - 06:33:07 PST)
The Cromicus Productions
(Tue Nov 22 2016 - 06:29:34 PST)
David A Case
(Tue Nov 22 2016 - 05:14:38 PST)
Imma Speciale
(Tue Nov 22 2016 - 02:42:02 PST)
Nhai
(Thu Nov 17 2016 - 06:54:09 PST)
Imma Speciale
(Thu Nov 17 2016 - 05:47:45 PST)
[AMBER] GaMD patches to Amber 14 and PME's gridhi parameter
Kasprzak, Wojciech (NIH/NCI) [C]
(Wed Nov 16 2016 - 07:36:06 PST)
David A Case
(Wed Nov 16 2016 - 06:56:09 PST)
Kasprzak, Wojciech (NIH/NCI) [C]
(Wed Nov 16 2016 - 06:07:03 PST)
[AMBER] generated correct inputfiles(.iprmtop and .inpcrd ) files
David A Case
(Tue Nov 22 2016 - 05:21:42 PST)
杨满意
(Fri Nov 18 2016 - 19:12:20 PST)
[AMBER] Generating parameters of HEME
Elvis Martis
(Wed Nov 02 2016 - 16:59:52 PDT)
David A Case
(Wed Nov 02 2016 - 12:35:55 PDT)
Hai Nguyen
(Wed Nov 02 2016 - 10:48:15 PDT)
Ramin Ekhteiari
(Wed Nov 02 2016 - 10:32:11 PDT)
[AMBER] Generation of parameter files of transmembrane protein system via xleap
David A Case
(Mon Nov 14 2016 - 04:47:21 PST)
Bill Ross
(Mon Nov 14 2016 - 01:21:21 PST)
Mahrukh Imtiaz
(Mon Nov 14 2016 - 01:05:39 PST)
[AMBER] GIST: convergence of the translational entropy term
Tom Kurtzman
(Fri Nov 11 2016 - 10:26:13 PST)
Steven Ramsey
(Fri Nov 11 2016 - 08:43:15 PST)
Sergey Samsonov
(Fri Nov 11 2016 - 06:28:26 PST)
[AMBER] GlcNAc-UDP problem with frcmod file
Lachele Foley
(Mon Nov 28 2016 - 23:40:16 PST)
David A Case
(Mon Nov 28 2016 - 11:57:23 PST)
Hannes Loeffler
(Fri Nov 25 2016 - 03:28:02 PST)
Sonia Romero
(Fri Nov 25 2016 - 02:15:41 PST)
[AMBER] Gromber failed.
Dd H
(Thu Nov 03 2016 - 05:31:14 PDT)
Jason Swails
(Thu Nov 03 2016 - 03:18:04 PDT)
Dd H
(Wed Nov 02 2016 - 19:05:40 PDT)
Nhai
(Wed Nov 02 2016 - 18:58:03 PDT)
Dd H
(Wed Nov 02 2016 - 18:13:16 PDT)
Hai Nguyen
(Wed Nov 02 2016 - 18:00:20 PDT)
Dd H
(Wed Nov 02 2016 - 17:56:48 PDT)
Jason Swails
(Wed Nov 02 2016 - 05:14:09 PDT)
Dd H
(Wed Nov 02 2016 - 01:43:51 PDT)
[AMBER] Hello! Distance restraint problems in SANDER
David A Case
(Sat Nov 05 2016 - 17:35:33 PDT)
tanfei777.sina.cn
(Sat Nov 05 2016 - 01:11:18 PDT)
[AMBER] Help Constant pH MD calculations
Tsibela German Tebello Mofokeng
(Wed Nov 16 2016 - 01:06:46 PST)
Jason Swails
(Tue Nov 15 2016 - 11:24:25 PST)
Tsibela German Tebello Mofokeng
(Tue Nov 15 2016 - 08:32:45 PST)
[AMBER] HMassRepartition
Thakur, Abhishek
(Wed Nov 16 2016 - 11:02:17 PST)
Adrian Roitberg
(Wed Nov 16 2016 - 10:38:58 PST)
Thakur, Abhishek
(Wed Nov 16 2016 - 10:31:28 PST)
Adrian Roitberg
(Wed Nov 16 2016 - 09:59:54 PST)
Adrian Roitberg
(Wed Nov 16 2016 - 09:54:34 PST)
Thakur, Abhishek
(Wed Nov 16 2016 - 08:41:02 PST)
Hai Nguyen
(Wed Nov 16 2016 - 08:11:24 PST)
David Cerutti
(Wed Nov 16 2016 - 08:04:22 PST)
Elvis Martis
(Wed Nov 16 2016 - 07:58:39 PST)
Thakur, Abhishek
(Wed Nov 16 2016 - 07:57:42 PST)
Thakur, Abhishek
(Wed Nov 16 2016 - 07:55:45 PST)
Daniel Roe
(Wed Nov 16 2016 - 07:54:11 PST)
David Cerutti
(Wed Nov 16 2016 - 07:46:06 PST)
Elvis Martis
(Wed Nov 16 2016 - 07:43:39 PST)
Thakur, Abhishek
(Wed Nov 16 2016 - 07:38:23 PST)
[AMBER] How to change the dielectric constant in the electrostatic energy term?
David A Case
(Sun Nov 20 2016 - 12:55:47 PST)
冯国强
(Sun Nov 20 2016 - 08:02:05 PST)
[AMBER] How to create the .off/.lib file of the equilibrated non-aqueous solvent box?
David A Case
(Sun Nov 27 2016 - 13:16:12 PST)
Yew Mun Yip
(Sat Nov 26 2016 - 22:05:12 PST)
[AMBER] How to generated correct inputfiles(.iprmtop and .inpcrd ) files
杨满意
(Tue Nov 22 2016 - 17:11:13 PST)
[AMBER] how to neutralize protein when using intrinsic water model
David A Case
(Mon Nov 14 2016 - 08:22:34 PST)
Thakur, Abhishek
(Mon Nov 14 2016 - 08:00:46 PST)
[AMBER] How to visualize modes obtained from NMA
The Cromicus Productions
(Wed Nov 02 2016 - 11:23:30 PDT)
[AMBER] Hydrophobic and covalent interactions bond length and stability
muhammad tahir ayub
(Wed Nov 23 2016 - 21:46:04 PST)
[AMBER] implicit water model in aMD
Thakur, Abhishek
(Mon Nov 21 2016 - 13:45:04 PST)
[AMBER] ImportError: Could not import Amber Python modules
David A Case
(Fri Nov 18 2016 - 06:14:38 PST)
David A Case
(Fri Nov 18 2016 - 06:13:46 PST)
Niel Henriksen
(Thu Nov 17 2016 - 13:28:36 PST)
Jason Swails
(Thu Nov 17 2016 - 13:23:48 PST)
Thakur, Abhishek
(Thu Nov 17 2016 - 12:52:31 PST)
Daniel Roe
(Thu Nov 17 2016 - 12:40:10 PST)
David A Case
(Thu Nov 17 2016 - 12:35:53 PST)
Thakur, Abhishek
(Thu Nov 17 2016 - 11:51:06 PST)
Nhai
(Thu Nov 17 2016 - 11:48:37 PST)
Thakur, Abhishek
(Thu Nov 17 2016 - 11:02:40 PST)
Nhai
(Thu Nov 17 2016 - 09:47:27 PST)
Thakur, Abhishek
(Thu Nov 17 2016 - 09:42:56 PST)
[AMBER] instal aamber "mpich2"
David A Case
(Fri Nov 25 2016 - 11:29:39 PST)
Sepideh Jafari
(Fri Nov 25 2016 - 09:51:54 PST)
Nhai
(Fri Nov 25 2016 - 09:37:15 PST)
Sepideh Jafari
(Fri Nov 25 2016 - 09:23:44 PST)
[AMBER] integer limit for nstlim
David A Case
(Wed Nov 09 2016 - 14:41:58 PST)
Neale, Christopher Andrew
(Wed Nov 09 2016 - 14:14:12 PST)
[AMBER] is it possible to run aMD in implicit water model?
Thakur, Abhishek
(Tue Nov 22 2016 - 17:46:36 PST)
Pengfei Li
(Tue Nov 22 2016 - 16:58:16 PST)
Thakur, Abhishek
(Tue Nov 22 2016 - 14:36:52 PST)
Pengfei Li
(Tue Nov 22 2016 - 12:54:33 PST)
Thakur, Abhishek
(Tue Nov 22 2016 - 12:51:26 PST)
[AMBER] Issue with addAtomType: Syntax Error
Korey M Reid
(Fri Nov 18 2016 - 13:57:34 PST)
David A Case
(Fri Nov 18 2016 - 06:18:05 PST)
Bill Ross
(Thu Nov 17 2016 - 13:21:45 PST)
Korey M Reid
(Thu Nov 17 2016 - 13:01:23 PST)
Bill Ross
(Thu Nov 17 2016 - 12:22:00 PST)
Korey M Reid
(Thu Nov 17 2016 - 12:14:36 PST)
[AMBER] Issue with the gaff parameters for "nh" atom type
Hirdesh Kumar
(Wed Nov 30 2016 - 11:13:35 PST)
Prajwal Nandekar
(Wed Nov 30 2016 - 05:58:45 PST)
[AMBER] length of restraintmask
David A Case
(Fri Nov 11 2016 - 17:09:29 PST)
Ignacio J. General
(Fri Nov 11 2016 - 09:51:50 PST)
[AMBER] Lifetime Analysis in cpptraj
Daniel Roe
(Tue Nov 22 2016 - 06:36:25 PST)
MOHD HOMAIDUR RAHMAN
(Mon Nov 21 2016 - 11:20:06 PST)
[AMBER] Ligand across membrane
zoran matovic
(Sun Nov 06 2016 - 23:38:25 PST)
[AMBER] log file in aMD
Neha Gandhi
(Wed Nov 09 2016 - 02:50:12 PST)
[AMBER] Mapping back the original PDB numbering and chain IDs when analysing Amber trajectories
William Lees
(Thu Nov 10 2016 - 02:00:46 PST)
Daniel Roe
(Wed Nov 09 2016 - 10:57:59 PST)
David A Case
(Wed Nov 09 2016 - 10:32:20 PST)
Eric Lang
(Wed Nov 09 2016 - 09:16:08 PST)
Nhai
(Wed Nov 09 2016 - 07:07:40 PST)
Eric Lang
(Wed Nov 09 2016 - 03:44:02 PST)
[AMBER] MCPB problems
Pengfei Li
(Wed Nov 02 2016 - 19:13:42 PDT)
Fabrício Bracht
(Tue Nov 01 2016 - 09:49:35 PDT)
Fabrício Bracht
(Tue Nov 01 2016 - 09:28:47 PDT)
Pengfei Li
(Tue Nov 01 2016 - 09:16:21 PDT)
Fabrício Bracht
(Tue Nov 01 2016 - 07:58:42 PDT)
[AMBER] MCPB.py
Pengfei Li
(Tue Nov 08 2016 - 10:53:11 PST)
Mahmood Jasim
(Thu Nov 03 2016 - 03:02:59 PDT)
[AMBER] MCPB.py and MMPBSA issue
Jason Swails
(Tue Nov 29 2016 - 09:17:33 PST)
Pengfei Li
(Mon Nov 28 2016 - 13:09:46 PST)
庄灿波
(Sat Nov 26 2016 - 01:32:53 PST)
[AMBER] MCPB.py error in Step 2
Pengfei Li
(Fri Nov 11 2016 - 09:52:42 PST)
Jon Mujika
(Thu Nov 10 2016 - 03:25:11 PST)
[AMBER] MD simulation by amber
David A Case
(Wed Nov 16 2016 - 06:00:38 PST)
Hai Nguyen
(Tue Nov 15 2016 - 18:40:12 PST)
[AMBER] MD simulations, DDR4 2133MHz vs 3200MHz
David Cerutti
(Thu Nov 03 2016 - 11:23:01 PDT)
Nikolay N. Kuzmich
(Thu Nov 03 2016 - 10:53:17 PDT)
[AMBER] MD under external electric field
Charles Lin
(Thu Nov 17 2016 - 12:48:12 PST)
Hector A. Baldoni
(Thu Nov 17 2016 - 05:56:13 PST)
Charles Lin
(Wed Nov 16 2016 - 14:18:46 PST)
Hector A. Baldoni
(Wed Nov 16 2016 - 13:36:05 PST)
[AMBER] mdfil: Error unknown flag: pdb_wat.prmtop
Hai Nguyen
(Wed Nov 30 2016 - 15:33:47 PST)
Aishani Prem
(Wed Nov 30 2016 - 15:32:29 PST)
[AMBER] Methylated adenine parameter
David A Case
(Tue Nov 15 2016 - 05:15:59 PST)
Kshatresh Dutta Dubey
(Tue Nov 15 2016 - 02:45:07 PST)
[AMBER] micro iterations in QM/MM optimization.
Dr. Andreas W. Goetz
(Wed Nov 02 2016 - 09:28:47 PDT)
Yigal Lahav
(Wed Nov 02 2016 - 07:28:57 PDT)
[AMBER] Missing dispersion parameters for Mg2+ in QM/MM MD with DFTB
Ruth Helena Tichauer
(Fri Nov 18 2016 - 07:16:57 PST)
Hector A. Baldoni
(Wed Nov 16 2016 - 05:06:59 PST)
Ruth Helena Tichauer
(Wed Nov 16 2016 - 04:32:01 PST)
Gustavo Seabra
(Wed Nov 16 2016 - 04:26:41 PST)
Ruth Helena Tichauer
(Tue Nov 15 2016 - 05:16:42 PST)
David A Case
(Tue Nov 15 2016 - 05:04:53 PST)
Ruth Helena Tichauer
(Tue Nov 15 2016 - 01:47:37 PST)
Gustavo Seabra
(Thu Nov 10 2016 - 09:44:45 PST)
Ruth Helena Tichauer
(Thu Nov 10 2016 - 06:07:29 PST)
[AMBER] MM-GBSA calculation in temperature other than 298 K
Hai Nguyen
(Mon Nov 28 2016 - 11:13:06 PST)
Atila Petrosian
(Mon Nov 28 2016 - 10:47:36 PST)
[AMBER] MM-GBSA calculation in temperature other than 298.15 K
Daniel Roe
(Sun Nov 20 2016 - 04:05:06 PST)
Atila Petrosian
(Sun Nov 20 2016 - 00:52:52 PST)
Jason Swails
(Thu Nov 17 2016 - 09:55:37 PST)
Daniel Roe
(Thu Nov 17 2016 - 08:11:13 PST)
Carlos Simmerling
(Thu Nov 17 2016 - 05:44:36 PST)
Atila Petrosian
(Thu Nov 17 2016 - 05:22:17 PST)
Carlos Simmerling
(Thu Nov 17 2016 - 05:18:35 PST)
Atila Petrosian
(Thu Nov 17 2016 - 05:12:09 PST)
Carlos Simmerling
(Thu Nov 17 2016 - 04:35:32 PST)
Atila Petrosian
(Wed Nov 16 2016 - 22:46:26 PST)
Carlos Simmerling
(Wed Nov 16 2016 - 03:12:43 PST)
Atila Petrosian
(Tue Nov 15 2016 - 21:42:37 PST)
[AMBER] MM-PBSA calculation for HEME-contained protein
Elvis Martis
(Sat Nov 05 2016 - 05:42:36 PDT)
Ramin Ekhteiari
(Sat Nov 05 2016 - 05:14:47 PDT)
[AMBER] mm_pbsa.pl error: Found unknown atflg DC
Hai Nguyen
(Tue Nov 15 2016 - 18:42:37 PST)
[AMBER] MMGBSA decomposition analysis
George Tzotzos
(Fri Nov 11 2016 - 13:30:46 PST)
Carlos Simmerling
(Fri Nov 11 2016 - 13:27:51 PST)
George Tzotzos
(Fri Nov 11 2016 - 13:16:41 PST)
[AMBER] MMGBSA: estimating "effective energy" convergence
George Tzotzos
(Wed Nov 02 2016 - 07:30:42 PDT)
Casalini Tommaso
(Wed Nov 02 2016 - 06:44:17 PDT)
George Tzotzos
(Wed Nov 02 2016 - 06:38:36 PDT)
[AMBER] MMPBSA Calculation
Preeti Pandey
(Mon Nov 21 2016 - 08:49:43 PST)
[AMBER] mmpbsa error
Ray Luo
(Tue Nov 01 2016 - 10:35:45 PDT)
东不拉
(Tue Nov 01 2016 - 01:31:34 PDT)
[AMBER] Modes associated to the principal components?
David A Case
(Tue Nov 22 2016 - 11:00:16 PST)
The Cromicus Productions
(Tue Nov 22 2016 - 10:52:36 PST)
Jason Swails
(Tue Nov 22 2016 - 09:26:31 PST)
The Cromicus Productions
(Tue Nov 22 2016 - 06:54:45 PST)
[AMBER] more on the Berendsen thermostat
Markowska
(Wed Nov 23 2016 - 11:07:59 PST)
Adrian Roitberg
(Wed Nov 23 2016 - 10:48:49 PST)
David A Case
(Wed Nov 23 2016 - 10:44:29 PST)
[AMBER] NAB input file containing first and second structure of RNA
Mohaddeseh Habibzadeh
(Mon Nov 28 2016 - 01:32:20 PST)
David A Case
(Sun Nov 27 2016 - 13:06:55 PST)
Mohaddeseh Habibzadeh
(Sun Nov 27 2016 - 09:56:59 PST)
David A Case
(Sun Nov 27 2016 - 09:40:13 PST)
Mohaddeseh Habibzadeh
(Sat Nov 26 2016 - 22:56:16 PST)
[AMBER] Negative interaction energy between Sodium ions?
David Cerutti
(Mon Nov 14 2016 - 14:46:16 PST)
Oliver Emil Skytte Glue
(Mon Nov 14 2016 - 14:29:17 PST)
[AMBER] No output_file during SMD with LCOD
Ruth Helena Tichauer
(Fri Nov 18 2016 - 07:04:06 PST)
Feng Pan
(Thu Nov 17 2016 - 09:03:08 PST)
Ruth Helena Tichauer
(Thu Nov 17 2016 - 02:45:47 PST)
[AMBER] NPT equilibration at constant pH with protonation states allowed to change
Eric Lang
(Mon Nov 14 2016 - 02:12:46 PST)
Eric Lang
(Fri Nov 11 2016 - 13:18:50 PST)
Jason Swails
(Fri Nov 11 2016 - 09:39:05 PST)
Eric Lang
(Fri Nov 11 2016 - 09:31:56 PST)
[AMBER] ntt = 6 and ibelly = 1
Xiangyu Jia
(Fri Nov 04 2016 - 01:50:03 PDT)
[AMBER] number of cpus in parallel GPU jobs
Ross Walker
(Tue Nov 08 2016 - 19:08:08 PST)
Neha Gandhi
(Tue Nov 08 2016 - 17:42:03 PST)
[AMBER] Obtaining infrared/Raman spectra
Brent Krueger
(Sat Nov 26 2016 - 13:45:07 PST)
case
(Sat Nov 26 2016 - 05:24:13 PST)
The Cromicus Productions
(Sat Nov 26 2016 - 00:36:22 PST)
[AMBER] Optimal values for harm and output_freq in SMD
Ruth Helena Tichauer
(Wed Nov 30 2016 - 01:32:31 PST)
Feng Pan
(Tue Nov 29 2016 - 17:22:30 PST)
Ruth Helena Tichauer
(Tue Nov 29 2016 - 07:59:07 PST)
Feng Pan
(Mon Nov 28 2016 - 18:16:18 PST)
Ruth Helena Tichauer
(Fri Nov 25 2016 - 03:47:37 PST)
Feng Pan
(Thu Nov 24 2016 - 10:55:04 PST)
Ruth Helena Tichauer
(Thu Nov 24 2016 - 03:34:04 PST)
[AMBER] Parameters for selenocysteine
David A Case
(Thu Nov 10 2016 - 10:14:14 PST)
David A Case
(Thu Nov 10 2016 - 07:43:51 PST)
Paul Meister
(Thu Nov 10 2016 - 06:06:54 PST)
[AMBER] Paramfit for multiple molecules
Robin Betz
(Mon Nov 28 2016 - 15:47:05 PST)
Sven Hackbusch
(Tue Nov 22 2016 - 15:59:22 PST)
[AMBER] PCA trajectories give unrealistic structures
Daniel Roe
(Wed Nov 09 2016 - 12:33:36 PST)
Gulsevin,Alican
(Wed Nov 09 2016 - 08:06:43 PST)
[AMBER] Performance drop for large systems
Ross Walker
(Tue Nov 08 2016 - 05:48:08 PST)
Andreas Tosstorff
(Tue Nov 08 2016 - 02:11:46 PST)
[AMBER] Phosphoryated amino acids
David A Case
(Thu Nov 17 2016 - 05:39:19 PST)
Eiros Zamora, Juan
(Thu Nov 17 2016 - 02:21:26 PST)
Neha Gandhi
(Thu Nov 17 2016 - 01:35:20 PST)
Bill Ross
(Thu Nov 17 2016 - 01:25:12 PST)
Bill Ross
(Thu Nov 17 2016 - 01:12:58 PST)
Beale, John
(Thu Nov 17 2016 - 01:10:30 PST)
[AMBER] Potential energy fluctuation of NVT ensemble
Zhe Li
(Sat Nov 05 2016 - 10:30:47 PDT)
diego.soler.uam.es
(Sat Nov 05 2016 - 01:29:38 PDT)
Niel Henriksen
(Fri Nov 04 2016 - 17:25:22 PDT)
Zhe Li
(Fri Nov 04 2016 - 15:15:49 PDT)
Zhe Li
(Thu Nov 03 2016 - 18:45:22 PDT)
[AMBER] Problem installing Amber 16 on mac OS El Capitan
Ruth Helena Tichauer
(Wed Nov 02 2016 - 08:13:25 PDT)
Hai Nguyen
(Wed Nov 02 2016 - 07:14:09 PDT)
Ruth Helena Tichauer
(Wed Nov 02 2016 - 06:32:15 PDT)
[AMBER] Problem to submit a pH-REMD on a GPU node
Ross Walker
(Fri Nov 25 2016 - 07:57:16 PST)
Yong Wang
(Fri Nov 25 2016 - 02:54:49 PST)
[AMBER] Problem with bonds in NAB
David A Case
(Thu Nov 24 2016 - 10:58:09 PST)
Vladislav Sláma
(Thu Nov 24 2016 - 06:58:16 PST)
David A Case
(Tue Nov 08 2016 - 12:24:35 PST)
Vladislav Sláma
(Tue Nov 08 2016 - 09:24:20 PST)
David A Case
(Thu Nov 03 2016 - 04:44:35 PDT)
Vladislav Sláma
(Wed Nov 02 2016 - 08:39:12 PDT)
[AMBER] problem with MMPBSApy in Amber 16
Marek Maly
(Tue Nov 01 2016 - 15:20:40 PDT)
Ray Luo
(Tue Nov 01 2016 - 14:34:01 PDT)
Ray Luo
(Tue Nov 01 2016 - 13:29:22 PDT)
Marek Maly
(Tue Nov 01 2016 - 12:14:55 PDT)
Ray Luo
(Tue Nov 01 2016 - 10:49:36 PDT)
Marek Maly
(Tue Nov 01 2016 - 10:36:24 PDT)
Ray Luo
(Tue Nov 01 2016 - 09:14:50 PDT)
Marek Maly
(Tue Nov 01 2016 - 08:54:04 PDT)
[AMBER] Problem with Parmed-generated chamber prmtop
Marc van der Kamp
(Thu Nov 24 2016 - 02:34:37 PST)
Jason Swails
(Wed Nov 23 2016 - 08:47:58 PST)
Jason Swails
(Fri Nov 18 2016 - 16:49:07 PST)
Marc van der Kamp
(Fri Nov 18 2016 - 14:39:40 PST)
Jason Swails
(Fri Nov 18 2016 - 11:45:19 PST)
Hai Nguyen
(Tue Nov 15 2016 - 18:50:32 PST)
Marc van der Kamp
(Thu Nov 10 2016 - 07:01:48 PST)
[AMBER] Protein path error
Elvis Martis
(Tue Nov 22 2016 - 03:30:32 PST)
Arthi Venkat
(Tue Nov 22 2016 - 02:58:02 PST)
Elvis Martis
(Tue Nov 22 2016 - 02:31:01 PST)
Arthi Venkat
(Tue Nov 22 2016 - 02:23:50 PST)
Elvis Martis
(Tue Nov 22 2016 - 02:08:26 PST)
Arthi Venkat
(Tue Nov 22 2016 - 01:52:18 PST)
[AMBER] Quenstions about pmemd.cuda.MPI
Ross Walker
(Thu Nov 10 2016 - 18:33:32 PST)
Pengfei Li
(Thu Nov 10 2016 - 17:48:11 PST)
Ross Walker
(Mon Nov 07 2016 - 06:29:29 PST)
Pengfei Li
(Sun Nov 06 2016 - 22:27:21 PST)
Ross Walker
(Thu Nov 03 2016 - 20:48:16 PDT)
Pengfei Li
(Thu Nov 03 2016 - 20:20:41 PDT)
[AMBER] Query regarding the MCPB.py workflow
Pengfei Li
(Mon Nov 21 2016 - 14:27:34 PST)
Abhi Acharya
(Sat Nov 19 2016 - 22:34:34 PST)
Pengfei Li
(Wed Nov 16 2016 - 17:07:22 PST)
Pengfei Li
(Wed Nov 16 2016 - 17:05:31 PST)
Abhi Acharya
(Wed Nov 16 2016 - 02:45:23 PST)
Abhi Acharya
(Sat Nov 12 2016 - 01:09:19 PST)
[AMBER] question about calculated density in sander output file
David A Case
(Wed Nov 30 2016 - 11:39:05 PST)
amaury paquet
(Wed Nov 30 2016 - 06:22:01 PST)
[AMBER] Questions concerning charges calculated by antechamber
Daniel Roe
(Mon Nov 28 2016 - 05:35:35 PST)
Andreas Gavrielides
(Mon Nov 28 2016 - 04:36:19 PST)
[AMBER] recipe for target "parallel" failed
Elvis Martis
(Sun Nov 27 2016 - 00:14:51 PST)
Mohaddeseh Habibzadeh
(Sun Nov 27 2016 - 00:07:24 PST)
Elvis Martis
(Sat Nov 26 2016 - 23:13:53 PST)
Mohaddeseh Habibzadeh
(Sat Nov 26 2016 - 23:03:56 PST)
Mohaddeseh Habibzadeh
(Sat Nov 26 2016 - 22:38:56 PST)
David A Case
(Sat Nov 26 2016 - 17:52:07 PST)
Mohaddeseh Habibzadeh
(Sat Nov 26 2016 - 11:03:35 PST)
Elvis Martis
(Sat Nov 26 2016 - 10:31:43 PST)
Mohaddeseh Habibzadeh
(Sat Nov 26 2016 - 10:08:58 PST)
[AMBER] recompile Sander suite
Dr. Anselm Horn
(Thu Nov 10 2016 - 03:13:48 PST)
Ibrahim Said
(Thu Nov 10 2016 - 02:56:34 PST)
[AMBER] Regarding integration of my code with CPPTRAJ
Daniel Roe
(Mon Nov 28 2016 - 05:16:03 PST)
Hai Nguyen
(Sun Nov 27 2016 - 21:47:06 PST)
Nikhil Chowdary
(Sun Nov 27 2016 - 21:35:46 PST)
[AMBER] RESP routine not found
Hai Nguyen
(Thu Nov 03 2016 - 09:52:52 PDT)
Marcelo Depólo
(Thu Nov 03 2016 - 05:09:32 PDT)
[AMBER] Restraints not working, What Am I doing Wrong?
The Cromicus Productions
(Fri Nov 18 2016 - 10:26:46 PST)
Dr. Anselm Horn
(Tue Nov 15 2016 - 00:45:07 PST)
The Cromicus Productions
(Mon Nov 14 2016 - 23:28:17 PST)
[AMBER] RMSD for two different MDs
Daniel Roe
(Tue Nov 29 2016 - 05:34:07 PST)
David Cerutti
(Mon Nov 28 2016 - 13:46:32 PST)
Adrian Roitberg
(Mon Nov 28 2016 - 13:32:23 PST)
Thakur, Abhishek
(Mon Nov 28 2016 - 13:27:53 PST)
Haining Liu
(Mon Nov 28 2016 - 12:49:02 PST)
[AMBER] rmsf problem
Daniel Roe
(Wed Nov 23 2016 - 05:06:31 PST)
Eiros Zamora, Juan
(Wed Nov 23 2016 - 04:42:39 PST)
Elvis Martis
(Wed Nov 23 2016 - 02:14:08 PST)
Sepideh Jafari
(Wed Nov 23 2016 - 02:07:27 PST)
[AMBER] RNA backbone dihedral restraints question
Carlos Simmerling
(Tue Nov 08 2016 - 03:39:27 PST)
Kasprzak, Wojciech (NIH/NCI) [C]
(Fri Nov 04 2016 - 07:41:00 PDT)
Carlos Simmerling
(Fri Nov 04 2016 - 07:10:31 PDT)
Kasprzak, Wojciech (NIH/NCI) [C]
(Fri Nov 04 2016 - 07:05:25 PDT)
[AMBER] selection of the residues when using MM-GBSA
Jason Swails
(Wed Nov 30 2016 - 13:31:39 PST)
Hyun
(Wed Nov 30 2016 - 08:38:08 PST)
[AMBER] simulating with "gbsa=1" on gpu give only 0.18ns per/day
Thakur, Abhishek
(Tue Nov 15 2016 - 09:12:37 PST)
Hai Nguyen
(Tue Nov 15 2016 - 07:13:20 PST)
Adrian Roitberg
(Tue Nov 15 2016 - 07:06:36 PST)
Thakur, Abhishek
(Tue Nov 15 2016 - 07:01:41 PST)
[AMBER] Simulation of protein in lipid blayer using GB solvation model
Carlos Simmerling
(Wed Nov 02 2016 - 04:34:49 PDT)
Nikolay N. Kuzmich
(Wed Nov 02 2016 - 03:49:34 PDT)
[AMBER] simulation running error.
Saman Yousuf ali
(Tue Nov 22 2016 - 22:02:30 PST)
Bill Ross
(Tue Nov 22 2016 - 21:55:08 PST)
Saman Yousuf ali
(Tue Nov 22 2016 - 21:49:50 PST)
Elvis Martis
(Tue Nov 22 2016 - 21:41:39 PST)
Saman Yousuf ali
(Tue Nov 22 2016 - 21:31:15 PST)
[AMBER] Software announcement: Release of PUPIL 3.1
Joan Torras
(Wed Nov 02 2016 - 13:33:54 PDT)
[AMBER] solvate box of long length and short width
Lara rajam
(Mon Nov 28 2016 - 12:22:12 PST)
David A Case
(Mon Nov 28 2016 - 11:40:47 PST)
Lara rajam
(Mon Nov 28 2016 - 06:58:31 PST)
[AMBER] strange format of .rst file
Jason Swails
(Fri Nov 18 2016 - 09:13:43 PST)
Thakur, Abhishek
(Fri Nov 18 2016 - 09:04:15 PST)
Daniel Roe
(Fri Nov 18 2016 - 08:20:42 PST)
Thakur, Abhishek
(Fri Nov 18 2016 - 07:53:41 PST)
[AMBER] Targeted molecular dynamics on GPU
Sonia Ziada
(Mon Nov 14 2016 - 07:14:34 PST)
[AMBER] The parameters for the fully protonated phosphate group
David Cerutti
(Mon Nov 21 2016 - 08:55:32 PST)
David A Case
(Mon Nov 21 2016 - 06:08:04 PST)
Dd H
(Sun Nov 20 2016 - 22:56:37 PST)
David Cerutti
(Sun Nov 20 2016 - 19:22:47 PST)
jinfeng liu
(Sun Nov 20 2016 - 18:45:31 PST)
[AMBER] The ultimate temperature is 11K instead of 100K in heating simulation
Ross Walker
(Tue Nov 01 2016 - 10:38:51 PDT)
Nikolay N. Kuzmich
(Tue Nov 01 2016 - 10:34:22 PDT)
[AMBER] Tools for calculation of interaction energy
Nhai
(Fri Nov 25 2016 - 12:57:48 PST)
Andrew Bostick
(Fri Nov 25 2016 - 09:41:26 PST)
[AMBER] TUTORIAL B5: Simulating the Green Fluorescent Protein -PREPGEN Error
David A Case
(Mon Nov 21 2016 - 06:11:38 PST)
Brent Krueger
(Sun Nov 20 2016 - 06:31:59 PST)
Taylor, Miles
(Sat Nov 19 2016 - 16:50:20 PST)
[AMBER] Umbrella simulation with an arbitrary bias potential
diego.soler.uam.es
(Tue Nov 15 2016 - 02:53:15 PST)
Feng Pan
(Mon Nov 07 2016 - 11:44:10 PST)
Vlad Cojocaru
(Mon Nov 07 2016 - 06:01:43 PST)
David A Case
(Mon Nov 07 2016 - 05:48:07 PST)
diego.soler.uam.es
(Fri Nov 04 2016 - 03:02:04 PDT)
[AMBER] Uridine diphosphate (UDP) - tleap
FyD
(Wed Nov 09 2016 - 02:58:18 PST)
David A Case
(Fri Nov 04 2016 - 10:07:21 PDT)
Anna Cebrian Prats
(Fri Nov 04 2016 - 04:58:51 PDT)
[AMBER] virtual box in gas phase simulation
Xiangyu Jia
(Fri Nov 04 2016 - 02:07:25 PDT)
[AMBER] Wierd line in amber-TI output Files
Thomas Fox
(Fri Nov 25 2016 - 04:37:22 PST)
problems for running step 2 of MCPB.py
杨满意
(Fri Nov 04 2016 - 00:00:56 PDT)
Problems with imaging
Daniel Roe
(Wed Nov 30 2016 - 10:24:32 PST)
Mark Waterhouse [RPG]
(Wed Nov 30 2016 - 01:08:00 PST)
Daniel Roe
(Tue Nov 29 2016 - 05:59:31 PST)
Mark Waterhouse [RPG]
(Mon Nov 28 2016 - 12:49:09 PST)
Last message date
:
Wed Nov 30 2016 - 16:00:03 PST
Archived on
: Mon Dec 09 2024 - 05:55:23 PST
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