Amber Archive Nov 2012 by subject
511 messages
:
Starting
Wed Oct 31 2012 - 18:30:02 PDT,
Ending
Fri Nov 30 2012 - 23:30:03 PST
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[AMBER] "vlimit exceeded for step ..." during SA protocol
Baptiste Legrand
(Tue Nov 13 2012 - 07:44:59 PST)
Baptiste Legrand
(Thu Nov 08 2012 - 01:28:27 PST)
David A Case
(Wed Nov 07 2012 - 06:46:22 PST)
Baptiste Legrand
(Wed Nov 07 2012 - 01:25:59 PST)
[AMBER] [PATCH 1/8] AmberTools: Fix buffer overflows in mdgx, nab and ptraj
David A Case
(Mon Nov 26 2012 - 05:31:36 PST)
[AMBER] [Private q4md] R.E.D. Server: Private assistance
FyD
(Mon Nov 05 2012 - 12:15:33 PST)
[AMBER] about angle restraint
anyiphysics.gmail.com
(Tue Nov 06 2012 - 16:48:04 PST)
Marek Maly
(Tue Nov 06 2012 - 16:21:32 PST)
anyiphysics.gmail.com
(Tue Nov 06 2012 - 13:11:40 PST)
David A Case
(Tue Nov 06 2012 - 12:13:06 PST)
anyiphysics.gmail.com
(Tue Nov 06 2012 - 11:53:22 PST)
[AMBER] Amber 12 and PGI compilers >= 12.5
Ben Roberts
(Wed Nov 28 2012 - 15:09:23 PST)
[AMBER] Amber and P450 cytochromes
Maximilian Ebert
(Thu Nov 01 2012 - 08:25:07 PDT)
[AMBER] Amber Error : Segmentation fault
David A Case
(Tue Nov 13 2012 - 05:10:20 PST)
Sumra Wajid Abbasi 30-FBAS/MSBI/F09
(Mon Nov 12 2012 - 20:59:46 PST)
Sumra Wajid Abbasi 30-FBAS/MSBI/F09
(Mon Nov 12 2012 - 20:58:50 PST)
Sumra Wajid Abbasi 30-FBAS/MSBI/F09
(Mon Nov 12 2012 - 20:44:16 PST)
Jason Swails
(Mon Nov 12 2012 - 04:25:09 PST)
Sumra Wajid Abbasi 30-FBAS/MSBI/F09
(Mon Nov 12 2012 - 01:05:29 PST)
Sumra Wajid Abbasi 30-FBAS/MSBI/F09
(Sun Nov 11 2012 - 22:51:48 PST)
Ross Walker
(Sun Nov 11 2012 - 22:33:17 PST)
Sumra Wajid Abbasi 30-FBAS/MSBI/F09
(Sun Nov 11 2012 - 22:15:16 PST)
[AMBER] Amber radii of ions
David A Case
(Mon Nov 19 2012 - 04:57:21 PST)
Devlina Chakravarty
(Sun Nov 18 2012 - 23:24:00 PST)
[AMBER] AMBER-Gaussian and Infrared
Brent Krueger
(Sun Nov 04 2012 - 03:37:30 PST)
Andreas Goetz
(Sat Nov 03 2012 - 14:33:45 PDT)
Brian Radak
(Sat Nov 03 2012 - 10:05:33 PDT)
marawan hussain
(Fri Nov 02 2012 - 19:07:05 PDT)
[AMBER] AMBER-ORCA
Andreas Goetz
(Thu Nov 15 2012 - 13:38:42 PST)
marawan hussain
(Wed Nov 14 2012 - 23:51:55 PST)
[AMBER] AMBER-ORCA-Freq
Brian Radak
(Fri Nov 16 2012 - 09:14:25 PST)
marawan hussain
(Thu Nov 15 2012 - 14:13:25 PST)
[AMBER] AMBER/ORCA
David A Case
(Thu Nov 15 2012 - 05:02:32 PST)
marawan hussain
(Wed Nov 14 2012 - 19:18:19 PST)
[AMBER] Amber12 Parrell Installation Error
BERGY
(Fri Nov 02 2012 - 10:15:10 PDT)
[AMBER] Amber12 PETASCALE Benchmarking.
Ross Walker
(Thu Nov 01 2012 - 22:27:54 PDT)
BERGY
(Thu Nov 01 2012 - 22:09:02 PDT)
[AMBER] AmberTools versions
Jason Swails
(Thu Nov 08 2012 - 12:36:56 PST)
Maxier Acosta Santiago
(Thu Nov 08 2012 - 12:05:15 PST)
[AMBER] Antechamber
Maxier Acosta Santiago
(Sun Nov 18 2012 - 08:20:37 PST)
Jason Swails
(Sat Nov 17 2012 - 12:42:39 PST)
Maxier Acosta Santiago
(Sat Nov 17 2012 - 12:06:32 PST)
[AMBER] Antechamber - Problem with protonated oxygen
FyD
(Wed Nov 28 2012 - 01:02:57 PST)
Ravi Tripathi
(Tue Nov 27 2012 - 22:20:31 PST)
FyD
(Tue Nov 27 2012 - 22:05:58 PST)
Ravi Tripathi
(Tue Nov 27 2012 - 21:58:39 PST)
[AMBER] Antechamber and GTP
FyD
(Fri Nov 16 2012 - 08:56:28 PST)
Fernando Martín García
(Fri Nov 16 2012 - 08:21:15 PST)
Fernando Martín García
(Fri Nov 16 2012 - 04:09:59 PST)
David A Case
(Thu Nov 15 2012 - 05:06:59 PST)
Alan
(Thu Nov 15 2012 - 03:47:02 PST)
fmgarcia.cbm.uam.es
(Thu Nov 15 2012 - 00:31:52 PST)
David A Case
(Wed Nov 14 2012 - 09:30:27 PST)
Fernando Martín García
(Wed Nov 14 2012 - 02:56:42 PST)
[AMBER] antechamber limitation on molecule size
anyiphysics.gmail.com
(Thu Nov 08 2012 - 08:44:36 PST)
FyD
(Thu Nov 08 2012 - 01:55:44 PST)
Yi An
(Wed Nov 07 2012 - 19:07:40 PST)
Aron Broom
(Wed Nov 07 2012 - 18:34:20 PST)
anyiphysics.gmail.com
(Wed Nov 07 2012 - 18:21:21 PST)
David A Case
(Thu Nov 01 2012 - 10:34:59 PDT)
FyD
(Thu Nov 01 2012 - 01:17:29 PDT)
anyiphysics.gmail.com
(Wed Oct 31 2012 - 18:27:50 PDT)
[AMBER] Antechamber-- Creating inputs for Ammonium-Borane
Ravi Tripathi
(Tue Nov 27 2012 - 21:59:12 PST)
FyD
(Tue Nov 27 2012 - 21:48:46 PST)
David A Case
(Tue Nov 27 2012 - 04:47:15 PST)
Ravi Tripathi
(Tue Nov 27 2012 - 02:09:31 PST)
[AMBER] Best atom types for N-Oxides compounds like TMAO
sa
(Thu Nov 01 2012 - 07:30:09 PDT)
Gustavo Seabra
(Thu Nov 01 2012 - 07:22:00 PDT)
sa
(Thu Nov 01 2012 - 07:05:40 PDT)
Gustavo Seabra
(Thu Nov 01 2012 - 06:49:37 PDT)
sa
(Thu Nov 01 2012 - 05:39:44 PDT)
[AMBER] best tutorials
Jason Swails
(Wed Nov 07 2012 - 15:38:53 PST)
BERGY
(Tue Nov 06 2012 - 20:26:33 PST)
Fabian Glaser
(Tue Nov 06 2012 - 06:32:26 PST)
[AMBER] bond missing in phosphate group after antechamber run
Krisztina Feher
(Thu Nov 08 2012 - 08:55:45 PST)
David A Case
(Thu Nov 08 2012 - 06:56:09 PST)
Krisztina Feher
(Thu Nov 08 2012 - 05:27:04 PST)
Krisztina Feher
(Wed Nov 07 2012 - 13:55:48 PST)
Krisztina Feher
(Wed Nov 07 2012 - 11:00:38 PST)
[AMBER] C-C-N angle parameters for benzonitrile
Sharma, Purshotam
(Fri Nov 16 2012 - 11:07:48 PST)
[AMBER] calculate the binding free energy of more than one ligand in MMPBSA
Jason Swails
(Tue Nov 27 2012 - 09:33:28 PST)
Shuyi Cao
(Tue Nov 27 2012 - 09:05:28 PST)
[AMBER] Calculating volume of the ligand
manikanthan bhavaraju
(Wed Nov 28 2012 - 07:51:54 PST)
João Ribeiro
(Wed Nov 28 2012 - 07:43:51 PST)
manikanthan bhavaraju
(Wed Nov 28 2012 - 06:30:15 PST)
[AMBER] calculation of protein-DNA complex structure
Carlos Simmerling
(Tue Nov 27 2012 - 08:43:37 PST)
David A Case
(Tue Nov 27 2012 - 04:44:54 PST)
丁鹏飞
(Mon Nov 26 2012 - 23:18:23 PST)
[AMBER] Can I mix Glycam and Gaff in a small molecule?
Liu Denis
(Tue Nov 20 2012 - 16:49:28 PST)
David A Case
(Mon Nov 19 2012 - 04:56:25 PST)
Liu Denis
(Sun Nov 18 2012 - 23:01:37 PST)
[AMBER] Cannot match namelist object name scee
Jason Swails
(Tue Nov 06 2012 - 07:10:42 PST)
Esam Tolba
(Tue Nov 06 2012 - 06:26:47 PST)
[AMBER] Cannot setting AMBERHOME on ubuntu 12.04
David A Case
(Fri Nov 02 2012 - 06:30:37 PDT)
setyanto md
(Fri Nov 02 2012 - 01:14:58 PDT)
[AMBER] Clarifications in umbrella sampling
Aron Broom
(Mon Nov 05 2012 - 08:45:45 PST)
Sajeewa Pemasinghe
(Mon Nov 05 2012 - 06:06:02 PST)
steinbrt.rci.rutgers.edu
(Mon Nov 05 2012 - 00:20:01 PST)
Sajeewa Pemasinghe
(Sun Nov 04 2012 - 23:28:03 PST)
Aron Broom
(Sun Nov 04 2012 - 22:00:37 PST)
Sajeewa Pemasinghe
(Sun Nov 04 2012 - 20:32:22 PST)
[AMBER] COM removed message and Energy Drift
Ismail, Mohd F.
(Thu Nov 15 2012 - 09:46:16 PST)
Jason Swails
(Thu Nov 15 2012 - 04:36:18 PST)
Ismail, Mohd F.
(Wed Nov 14 2012 - 12:50:26 PST)
Ismail, Mohd F.
(Wed Nov 14 2012 - 12:38:41 PST)
[AMBER] compiler errors
Brown, Paul
(Fri Nov 09 2012 - 04:07:58 PST)
Jason Swails
(Thu Nov 08 2012 - 04:57:05 PST)
Brown, Paul
(Thu Nov 08 2012 - 04:32:20 PST)
Jason Swails
(Tue Nov 06 2012 - 09:03:51 PST)
Brown, Paul
(Tue Nov 06 2012 - 08:06:04 PST)
[AMBER] Compiler for Amber12 with GTX680
kurisaki
(Thu Nov 29 2012 - 05:58:05 PST)
Jason Swails
(Thu Nov 29 2012 - 05:37:32 PST)
kurisaki
(Thu Nov 29 2012 - 02:46:24 PST)
[AMBER] complete bond energy list
יוכבד
(Wed Nov 28 2012 - 00:41:29 PST)
Jason Swails
(Tue Nov 27 2012 - 05:27:01 PST)
יוכבד
(Tue Nov 27 2012 - 01:23:56 PST)
[AMBER] cppparmstrip command provokes segmentation fault
Daniel Roe
(Tue Nov 13 2012 - 07:16:26 PST)
Vlad Cojocaru
(Tue Nov 13 2012 - 05:48:33 PST)
Jason Swails
(Tue Nov 13 2012 - 05:34:26 PST)
Vlad Cojocaru
(Tue Nov 13 2012 - 04:13:55 PST)
[AMBER] cuda-5.0/lib64/libcufft.so: undefined reference to `__isoc99_sscanf@GLIBC_2.7'
Ross Walker
(Wed Nov 21 2012 - 10:03:22 PST)
Thomas Evangelidis
(Tue Nov 20 2012 - 15:01:33 PST)
Ross Walker
(Tue Nov 20 2012 - 14:14:55 PST)
Thomas Evangelidis
(Tue Nov 20 2012 - 13:31:44 PST)
Ross Walker
(Tue Nov 20 2012 - 13:21:23 PST)
Thomas Evangelidis
(Tue Nov 20 2012 - 13:13:34 PST)
Ross Walker
(Tue Nov 20 2012 - 13:09:36 PST)
Su, Shiquan
(Tue Nov 20 2012 - 13:04:18 PST)
Thomas Evangelidis
(Tue Nov 20 2012 - 12:47:55 PST)
Ross Walker
(Tue Nov 20 2012 - 08:28:01 PST)
Thomas Evangelidis
(Tue Nov 20 2012 - 07:53:26 PST)
Jason Swails
(Tue Nov 20 2012 - 06:38:42 PST)
Thomas Evangelidis
(Tue Nov 20 2012 - 01:50:52 PST)
[AMBER] definition of receptor_mask and ligand_mask using MMPBSA method
Bill Miller III
(Mon Nov 26 2012 - 04:39:31 PST)
dbaogen
(Mon Nov 26 2012 - 04:30:09 PST)
[AMBER] deprotonated serine
BERGY
(Fri Nov 02 2012 - 10:19:27 PDT)
[AMBER] different force fields for different molecules in leap
Pecher, Josua
(Thu Nov 08 2012 - 08:25:29 PST)
Aron Broom
(Thu Nov 08 2012 - 08:10:31 PST)
Pecher, Josua
(Thu Nov 08 2012 - 08:04:04 PST)
[AMBER] Dipole from a mask
Ismail, Mohd F.
(Fri Nov 09 2012 - 13:16:26 PST)
Daniel Roe
(Fri Nov 09 2012 - 07:05:09 PST)
Ismail, Mohd F.
(Thu Nov 08 2012 - 21:13:15 PST)
Ismail, Mohd F.
(Thu Nov 08 2012 - 21:07:34 PST)
Daniel Roe
(Thu Nov 08 2012 - 08:05:29 PST)
Ismail, Mohd F.
(Wed Nov 07 2012 - 14:26:56 PST)
Daniel Roe
(Tue Nov 06 2012 - 12:31:42 PST)
Ismail, Mohd F.
(Mon Nov 05 2012 - 13:29:34 PST)
[AMBER] Doubt about binding dissociation constant
Ignacio J. General
(Wed Nov 28 2012 - 10:56:57 PST)
manikanthan bhavaraju
(Wed Nov 28 2012 - 10:29:39 PST)
InSuk Joung
(Wed Nov 28 2012 - 10:18:42 PST)
manikanthan bhavaraju
(Wed Nov 28 2012 - 10:05:59 PST)
[AMBER] Download problem of amber12
Sanjib Paul
(Thu Nov 01 2012 - 03:59:43 PDT)
[AMBER] EHBOND values and RESTRAINT values in mdout file
Jason Swails
(Fri Nov 09 2012 - 07:02:55 PST)
Pyle, Ronald
(Fri Nov 09 2012 - 06:13:27 PST)
tec3.utah.edu
(Thu Nov 08 2012 - 15:25:04 PST)
Jason Swails
(Thu Nov 08 2012 - 15:16:33 PST)
Pyle, Ronald
(Thu Nov 08 2012 - 14:55:13 PST)
[AMBER] Energy Analysis from Trajectory
Jason Swails
(Thu Nov 15 2012 - 08:26:02 PST)
Kepa K. Burusco
(Thu Nov 15 2012 - 08:21:05 PST)
David A Case
(Thu Nov 15 2012 - 04:57:51 PST)
Kepa K. Burusco
(Wed Nov 14 2012 - 13:54:09 PST)
Jason Swails
(Wed Nov 07 2012 - 11:10:21 PST)
Aron Broom
(Tue Nov 06 2012 - 22:24:28 PST)
Roitberg,Adrian E
(Tue Nov 06 2012 - 22:09:14 PST)
Aron Broom
(Tue Nov 06 2012 - 22:07:25 PST)
[AMBER] Error at the end of entropy calculation via MMPBSA.py
Jason Swails
(Fri Nov 09 2012 - 07:01:35 PST)
Miguel Ortiz Lombardía
(Fri Nov 09 2012 - 06:31:00 PST)
[AMBER] error in heating process
David A Case
(Wed Nov 28 2012 - 06:16:36 PST)
Bill Ross
(Tue Nov 27 2012 - 23:07:25 PST)
subramanian boopathi
(Tue Nov 27 2012 - 21:47:54 PST)
[AMBER] Error in script file while running mm_pbsa.pl
Jason Swails
(Fri Nov 16 2012 - 04:58:55 PST)
Anogna
(Wed Nov 14 2012 - 23:32:20 PST)
[AMBER] error of MMPBSA calculation using the prmtop and inpcrd generated by Chamber program
Jason Swails
(Wed Nov 07 2012 - 11:16:19 PST)
baogen duan
(Wed Nov 07 2012 - 01:12:36 PST)
Bill Miller III
(Tue Nov 06 2012 - 18:29:49 PST)
baogen duan
(Tue Nov 06 2012 - 18:25:19 PST)
[AMBER] error when Chamber dealing with DNA, RNA and ATP
baogen duan
(Wed Oct 31 2012 - 19:40:53 PDT)
[AMBER] Explicit 1-4 pairs
Jason Swails
(Wed Nov 14 2012 - 05:17:35 PST)
Joakim Jämbeck
(Wed Nov 14 2012 - 02:09:39 PST)
[AMBER] force field file problem
David A Case
(Thu Nov 01 2012 - 11:47:46 PDT)
Changqing Yan
(Thu Nov 01 2012 - 06:16:08 PDT)
[AMBER] Forcefield
Christina Bergonzo
(Wed Nov 21 2012 - 12:34:23 PST)
Maxier Acosta Santiago
(Wed Nov 21 2012 - 12:06:12 PST)
[AMBER] generate rst from mdcrd
Jason Swails
(Mon Nov 19 2012 - 12:49:08 PST)
Yunjie Zhao
(Mon Nov 19 2012 - 11:57:04 PST)
[AMBER] Generating a solvent Box from organic solvent
Bill Ross
(Mon Nov 12 2012 - 17:55:46 PST)
Mark Zottola
(Mon Nov 12 2012 - 16:48:24 PST)
[AMBER] genMetalFF.sh and getCharges.sh not exist
Jia Xu
(Thu Nov 08 2012 - 09:42:25 PST)
Jason Swails
(Thu Nov 08 2012 - 05:27:25 PST)
Jia Xu
(Wed Nov 07 2012 - 23:17:07 PST)
[AMBER] GPU and ntpr
Fernando Martín García
(Fri Nov 30 2012 - 01:16:38 PST)
Ross Walker
(Tue Nov 27 2012 - 10:48:13 PST)
Fernando Martín García
(Tue Nov 27 2012 - 03:46:02 PST)
Ross Walker
(Fri Nov 23 2012 - 17:27:29 PST)
Fernando Martín García
(Fri Nov 23 2012 - 03:14:41 PST)
[AMBER] GPU compile TEST does not work.
kurisaki
(Fri Nov 30 2012 - 06:07:25 PST)
Jason Swails
(Fri Nov 30 2012 - 05:02:46 PST)
kurisaki
(Thu Nov 29 2012 - 23:06:13 PST)
kurisaki
(Thu Nov 29 2012 - 21:09:33 PST)
[AMBER] Happy Thanksgiving!!!!
Eliana Asciutto
(Fri Nov 23 2012 - 07:06:34 PST)
[AMBER] Heating process- amber 8 regarding
David A Case
(Mon Nov 26 2012 - 05:10:12 PST)
subramanian boopathi
(Thu Nov 22 2012 - 23:04:01 PST)
[AMBER] Heme iron definition: Atom type missing
Maximilian Ebert
(Fri Nov 09 2012 - 22:27:18 PST)
David A Case
(Fri Nov 09 2012 - 17:44:03 PST)
Maximilian Ebert
(Fri Nov 09 2012 - 11:59:28 PST)
Maximilian Ebert
(Thu Nov 08 2012 - 05:35:28 PST)
[AMBER] how to calculate binding energy of one receptor and two ligands?
Jason Swails
(Fri Nov 02 2012 - 21:42:05 PDT)
bin wang
(Fri Nov 02 2012 - 10:30:22 PDT)
Jason Swails
(Fri Nov 02 2012 - 09:37:17 PDT)
bin wang
(Fri Nov 02 2012 - 08:53:14 PDT)
[AMBER] How to use q4md-CD?
FyD
(Wed Nov 07 2012 - 00:22:13 PST)
Liu Denis
(Tue Nov 06 2012 - 01:51:18 PST)
FyD
(Mon Nov 05 2012 - 13:29:56 PST)
Liu Denis
(Mon Nov 05 2012 - 08:07:55 PST)
[AMBER] Image problems with IWRAP=1
Daniel Roe
(Wed Nov 07 2012 - 12:20:37 PST)
Daniel Roe
(Tue Nov 06 2012 - 15:04:46 PST)
Brown, Kyle
(Tue Nov 06 2012 - 14:52:03 PST)
Daniel Roe
(Tue Nov 06 2012 - 12:36:19 PST)
David A Case
(Tue Nov 06 2012 - 12:16:44 PST)
Brown, Kyle
(Tue Nov 06 2012 - 11:57:05 PST)
[AMBER] imaging issues during RMSF
Sangeetha B
(Fri Nov 30 2012 - 06:16:52 PST)
[AMBER] imaging namd-generated dcd trajectories with cpptraj
Daniel Roe
(Tue Nov 13 2012 - 07:20:05 PST)
Vlad Cojocaru
(Tue Nov 13 2012 - 06:11:29 PST)
Jason Swails
(Tue Nov 13 2012 - 06:00:20 PST)
Vlad Cojocaru
(Tue Nov 13 2012 - 05:53:48 PST)
Jason Swails
(Tue Nov 13 2012 - 05:36:35 PST)
Vlad Cojocaru
(Tue Nov 13 2012 - 02:00:47 PST)
[AMBER] implementation of string method to find minimum free energy paths in Amber
Christina Bergonzo
(Thu Nov 01 2012 - 07:28:07 PDT)
Tan Yaw Sing
(Thu Nov 01 2012 - 06:49:34 PDT)
[AMBER] INTER-molecular RDF only ?
Marek Maly
(Fri Nov 23 2012 - 14:35:59 PST)
Ismail, Mohd F.
(Fri Nov 23 2012 - 14:09:58 PST)
Marek Maly
(Fri Nov 23 2012 - 13:13:53 PST)
Ismail, Mohd F.
(Fri Nov 23 2012 - 12:34:31 PST)
Marek Maly
(Fri Nov 23 2012 - 05:22:09 PST)
[AMBER] is AMBER FF good enough for long time scaled MD?
Vlad Cojocaru
(Wed Nov 21 2012 - 07:52:13 PST)
Thomas Evangelidis
(Wed Nov 21 2012 - 07:46:38 PST)
Vlad Cojocaru
(Wed Nov 21 2012 - 07:35:20 PST)
Albert
(Wed Nov 21 2012 - 07:02:17 PST)
Vlad Cojocaru
(Wed Nov 21 2012 - 06:51:53 PST)
Thomas Evangelidis
(Wed Nov 21 2012 - 06:47:43 PST)
Albert
(Wed Nov 21 2012 - 06:36:33 PST)
Vlad Cojocaru
(Wed Nov 21 2012 - 06:21:38 PST)
Vlad Cojocaru
(Wed Nov 21 2012 - 06:13:45 PST)
Albert
(Wed Nov 21 2012 - 05:56:39 PST)
Vlad Cojocaru
(Wed Nov 21 2012 - 05:50:40 PST)
Albert
(Wed Nov 21 2012 - 05:39:51 PST)
Albert
(Wed Nov 21 2012 - 05:37:52 PST)
David A Case
(Wed Nov 21 2012 - 04:37:00 PST)
francesco oteri
(Wed Nov 21 2012 - 04:03:31 PST)
Albert
(Tue Nov 20 2012 - 23:17:54 PST)
[AMBER] is there a difference between the GTX 680 GPU's
Jonathan Gough
(Thu Nov 29 2012 - 18:41:34 PST)
Ross Walker
(Thu Nov 29 2012 - 18:31:44 PST)
Marek Maly
(Thu Nov 29 2012 - 18:16:47 PST)
Jonathan Gough
(Thu Nov 29 2012 - 18:06:37 PST)
Ross Walker
(Thu Nov 29 2012 - 16:58:33 PST)
Marek Maly
(Thu Nov 29 2012 - 16:44:58 PST)
Jason Swails
(Thu Nov 29 2012 - 16:35:40 PST)
Marek Maly
(Thu Nov 29 2012 - 16:13:19 PST)
Jonathan Gough
(Thu Nov 29 2012 - 16:17:07 PST)
Jason Swails
(Thu Nov 29 2012 - 15:19:58 PST)
Jonathan Gough
(Thu Nov 29 2012 - 14:03:34 PST)
[AMBER] Kepler II (K20) benchmark results?
Ross Walker
(Thu Nov 15 2012 - 16:42:57 PST)
filip fratev
(Thu Nov 15 2012 - 08:59:25 PST)
[AMBER] large value of "fglen" and "cglen"of iAPBS initiation during MMPBSA python script calculation
Robert Konecny
(Thu Nov 15 2012 - 21:08:27 PST)
baogen duan
(Thu Nov 15 2012 - 17:31:18 PST)
[AMBER] Ligand appears broken after minimization
Hirdesh Kumar
(Wed Nov 28 2012 - 00:14:07 PST)
Jitesh Doshi
(Tue Nov 27 2012 - 22:04:25 PST)
Kshatresh Dutta Dubey
(Wed Nov 21 2012 - 01:56:54 PST)
Jitesh Doshi
(Wed Nov 21 2012 - 01:49:15 PST)
[AMBER] LMOD issues in Amber 12
Sarah Edwards
(Mon Nov 26 2012 - 11:05:39 PST)
[AMBER] Magnesium ion (Mg2+) simulation
dbaogen
(Tue Nov 20 2012 - 18:24:21 PST)
[AMBER] metal protein -regarding
subramanian boopathi
(Thu Nov 01 2012 - 03:49:52 PDT)
[AMBER] mixing of scaling factor in amber 12
Subrata Paul
(Mon Nov 19 2012 - 11:23:48 PST)
Jason Swails
(Mon Nov 19 2012 - 05:27:44 PST)
Subrata Paul
(Mon Nov 19 2012 - 00:56:58 PST)
[AMBER] MM PBSA error calculating entropy
Aron Broom
(Tue Nov 13 2012 - 15:36:54 PST)
Jason Swails
(Tue Nov 13 2012 - 14:55:05 PST)
Aron Broom
(Tue Nov 13 2012 - 13:52:03 PST)
[AMBER] mmpbsa restart
Jason Swails
(Wed Nov 14 2012 - 08:33:09 PST)
Giulia
(Wed Nov 14 2012 - 08:14:09 PST)
Jason Swails
(Wed Nov 14 2012 - 05:18:49 PST)
Giulia
(Wed Nov 14 2012 - 04:31:18 PST)
[AMBER] MMPBSA.py "timer: need to reset the time before start"
Jason Swails
(Mon Nov 05 2012 - 10:04:23 PST)
Adelene Sim
(Sun Nov 04 2012 - 18:51:49 PST)
[AMBER] MMPBSA.py - problem with complex.prmtop
Jason Swails
(Tue Nov 27 2012 - 04:54:39 PST)
colvin
(Tue Nov 27 2012 - 01:16:44 PST)
[AMBER] MMPBSA.py - problem with complex.prmtop -rdparm: a parameter array overflowed
colvin
(Thu Nov 29 2012 - 16:15:35 PST)
Jason Swails
(Wed Nov 28 2012 - 07:23:58 PST)
colvin
(Tue Nov 27 2012 - 21:46:11 PST)
[AMBER] Multi-protein simulation in a box
Rajeswari A.
(Thu Nov 08 2012 - 23:08:07 PST)
Brian Radak
(Thu Nov 08 2012 - 08:50:16 PST)
Jason Swails
(Thu Nov 08 2012 - 08:30:19 PST)
Aron Broom
(Thu Nov 08 2012 - 08:04:43 PST)
Rajeswari A.
(Thu Nov 08 2012 - 01:28:04 PST)
[AMBER] NAMD failed to read Amber parm file
Jason Swails
(Wed Nov 07 2012 - 11:19:55 PST)
Aron Broom
(Wed Nov 07 2012 - 08:05:37 PST)
Sneha Menon
(Wed Nov 07 2012 - 04:25:36 PST)
[AMBER] no leaprc in search path
Fabian Glaser
(Mon Nov 05 2012 - 06:18:55 PST)
Jason Swails
(Sun Nov 04 2012 - 08:40:49 PST)
Fabian Glaser
(Sun Nov 04 2012 - 07:24:16 PST)
Jason Swails
(Sun Nov 04 2012 - 07:14:31 PST)
Fabian Glaser
(Sun Nov 04 2012 - 06:37:14 PST)
[AMBER] No radius found for Mg+ using mm_pbsa.pl script
Ray Luo, Ph.D.
(Fri Nov 09 2012 - 09:48:50 PST)
baogen duan
(Fri Nov 09 2012 - 01:18:25 PST)
[AMBER] NOE calculation
Meli Massimiliano
(Tue Nov 13 2012 - 08:14:38 PST)
David A Case
(Tue Nov 13 2012 - 05:18:07 PST)
Meli Massimiliano
(Tue Nov 13 2012 - 02:26:33 PST)
[AMBER] Obtain trajectory coordinates from LMOD minimization
David A Case
(Fri Nov 09 2012 - 05:01:39 PST)
Sangmin Lee
(Thu Nov 08 2012 - 22:23:57 PST)
[AMBER] Parameters for amide bond isosteres
Cecilia Lindgren
(Thu Nov 08 2012 - 03:49:38 PST)
[AMBER] PB Bomb in pb_aaradi(): No radius assigned for atom 8857 FE FE
Ray Luo, Ph.D.
(Fri Nov 16 2012 - 15:46:12 PST)
Ray Luo, Ph.D.
(Wed Nov 14 2012 - 21:17:44 PST)
Dmitry Mukha
(Wed Nov 14 2012 - 10:21:09 PST)
Ray Luo, Ph.D.
(Wed Nov 14 2012 - 10:08:27 PST)
Dmitry Mukha
(Wed Nov 14 2012 - 00:52:30 PST)
[AMBER] pmemd cuda MPI and PBS_GPUFILE
Scott Le Grand
(Wed Nov 07 2012 - 09:52:20 PST)
Scott Brozell
(Wed Nov 07 2012 - 09:25:13 PST)
Jodi Ann Hadden
(Tue Nov 06 2012 - 08:23:59 PST)
Jason Swails
(Tue Nov 06 2012 - 07:50:52 PST)
Ross Walker
(Mon Nov 05 2012 - 21:38:58 PST)
Scott Brozell
(Mon Nov 05 2012 - 22:24:45 PST)
[AMBER] pmemd cuda MPI nmropt crashes
Scott Brozell
(Wed Nov 07 2012 - 09:44:45 PST)
Scott Brozell
(Wed Nov 07 2012 - 08:55:13 PST)
Scott Le Grand
(Tue Nov 06 2012 - 10:04:09 PST)
Scott Le Grand
(Tue Nov 06 2012 - 05:47:31 PST)
Ross Walker
(Mon Nov 05 2012 - 23:12:55 PST)
Ross Walker
(Mon Nov 05 2012 - 21:44:19 PST)
Scott Brozell
(Mon Nov 05 2012 - 22:36:36 PST)
Ross Walker
(Mon Nov 05 2012 - 21:29:08 PST)
Scott Brozell
(Mon Nov 05 2012 - 22:08:45 PST)
[AMBER] Polarizable force field for protein + ligand system
Jagur Lambix
(Tue Nov 27 2012 - 14:47:01 PST)
[AMBER] Porcupine_Plots_Script
Jason Swails
(Fri Nov 30 2012 - 06:33:35 PST)
monica.imtech.res.in
(Fri Nov 30 2012 - 06:19:13 PST)
Jason Swails
(Thu Nov 29 2012 - 04:29:24 PST)
monica.imtech.res.in
(Thu Nov 29 2012 - 04:08:00 PST)
Jason Swails
(Tue Nov 27 2012 - 07:25:29 PST)
monica.imtech.res.in
(Tue Nov 27 2012 - 07:18:38 PST)
Jia Xu
(Mon Nov 26 2012 - 10:18:07 PST)
monica.imtech.res.in
(Mon Nov 26 2012 - 04:11:36 PST)
Jia Xu
(Mon Nov 26 2012 - 03:17:45 PST)
[AMBER] postdoc RNA/DNA computations
Jiri Sponer
(Tue Nov 27 2012 - 04:50:23 PST)
[AMBER] Primary structur to 3D structure
Aron Broom
(Thu Nov 08 2012 - 14:05:30 PST)
Sindrila Dutta banik
(Thu Nov 08 2012 - 11:18:29 PST)
[AMBER] problem for lipid GAFF
Ross Walker
(Wed Nov 14 2012 - 09:36:21 PST)
Albert
(Tue Nov 13 2012 - 23:41:30 PST)
Ross Walker
(Tue Nov 13 2012 - 10:23:25 PST)
Albert
(Tue Nov 13 2012 - 09:12:38 PST)
Ross Walker
(Tue Nov 13 2012 - 09:03:32 PST)
Dickson, Callum
(Tue Nov 13 2012 - 09:00:00 PST)
Albert
(Tue Nov 13 2012 - 02:18:13 PST)
[AMBER] problem in loading pdb in xleap
Shubhadip Das
(Fri Nov 30 2012 - 23:12:53 PST)
[AMBER] Problem in running parallel
Terry
(Wed Oct 31 2012 - 23:43:25 PDT)
hari krishna
(Wed Oct 31 2012 - 23:13:52 PDT)
[AMBER] Problem of atom typing for the LYN residue?
David A Case
(Mon Nov 26 2012 - 05:18:26 PST)
FyD
(Wed Nov 14 2012 - 01:53:46 PST)
[AMBER] Problem related to RMSD
Miguel Ortiz Lombardia
(Sun Nov 04 2012 - 23:19:21 PST)
Sindrila Dutta banik
(Sun Nov 04 2012 - 20:50:08 PST)
Niel Henriksen
(Sun Nov 04 2012 - 20:20:02 PST)
Sindrila Dutta banik
(Sun Nov 04 2012 - 19:57:44 PST)
Jason Swails
(Sun Nov 04 2012 - 17:35:40 PST)
Niel Henriksen
(Sun Nov 04 2012 - 09:57:53 PST)
Sindrila Dutta banik
(Sun Nov 04 2012 - 09:43:08 PST)
[AMBER] Problem related to the RMSD
Sindrila Dutta banik
(Sun Nov 04 2012 - 22:37:27 PST)
Niel Henriksen
(Sun Nov 04 2012 - 06:52:15 PST)
Sindrila Dutta banik
(Sat Nov 03 2012 - 22:29:39 PDT)
Jason Swails
(Sat Nov 03 2012 - 08:43:20 PDT)
Sindrila Dutta banik
(Sat Nov 03 2012 - 07:25:11 PDT)
[AMBER] Problem to run sander with more than 60 atom types
Jason Swails
(Tue Nov 27 2012 - 06:59:48 PST)
Elise Duboué-Dijon
(Tue Nov 27 2012 - 06:32:34 PST)
Jason Swails
(Tue Nov 27 2012 - 05:29:38 PST)
Elise Duboué-Dijon
(Tue Nov 27 2012 - 03:20:48 PST)
Elise Duboué-Dijon
(Thu Nov 22 2012 - 00:40:12 PST)
[AMBER] Problem with "make install" after "./configure intel"
Su, Shiquan
(Tue Nov 13 2012 - 13:50:18 PST)
Su, Shiquan
(Tue Nov 13 2012 - 13:37:08 PST)
Daniel Roe
(Tue Nov 13 2012 - 13:25:59 PST)
Su, Shiquan
(Tue Nov 13 2012 - 13:16:33 PST)
[AMBER] problem with Ca2.lib
manikanthan bhavaraju
(Wed Nov 07 2012 - 12:04:05 PST)
Tim Travers
(Wed Nov 07 2012 - 11:46:21 PST)
manikanthan bhavaraju
(Wed Nov 07 2012 - 11:28:50 PST)
[AMBER] Problem with running QM/MM - MD simulation using AM1/d-PhoT method in AMBER12
Andreas Goetz
(Thu Nov 15 2012 - 15:33:50 PST)
Brian Radak
(Thu Nov 15 2012 - 09:30:47 PST)
vojtech.mlynsky.upol.cz
(Thu Nov 15 2012 - 09:01:06 PST)
Gustavo Seabra
(Thu Nov 15 2012 - 06:33:14 PST)
vojtech.mlynsky.upol.cz
(Thu Nov 15 2012 - 05:08:15 PST)
Andreas Goetz
(Wed Nov 14 2012 - 13:06:40 PST)
Marc van der Kamp
(Wed Nov 14 2012 - 12:46:59 PST)
Brian Radak
(Wed Nov 14 2012 - 11:37:55 PST)
Gustavo Seabra
(Wed Nov 14 2012 - 10:41:51 PST)
vojtech.mlynsky.upol.cz
(Wed Nov 14 2012 - 09:15:52 PST)
Gustavo Seabra
(Wed Nov 14 2012 - 04:40:30 PST)
vojtech.mlynsky.upol.cz
(Wed Nov 14 2012 - 03:05:29 PST)
[AMBER] Problem with the specification of the bellymask
Sajeewa Pemasinghe
(Thu Nov 15 2012 - 19:39:38 PST)
Jason Swails
(Thu Nov 15 2012 - 18:18:40 PST)
Sajeewa Pemasinghe
(Thu Nov 15 2012 - 16:55:38 PST)
[AMBER] ptraj clustering problem (segmentation fault)
adarm.nencki.gov.pl
(Mon Nov 26 2012 - 13:21:33 PST)
Daniel Roe
(Mon Nov 26 2012 - 08:49:43 PST)
adarm.nencki.gov.pl
(Mon Nov 26 2012 - 05:25:20 PST)
[AMBER] ptraj grid by center of mass
Daniel Álvarez García
(Mon Nov 26 2012 - 10:03:08 PST)
Daniel Roe
(Mon Nov 26 2012 - 08:55:15 PST)
Daniel Álvarez García
(Mon Nov 26 2012 - 05:55:01 PST)
[AMBER] QM/MM bugfix for semiempirical NDDO code available, soon
Andreas Goetz
(Fri Nov 16 2012 - 17:16:04 PST)
[AMBER] questions about Accelerated MD
Thomas Evangelidis
(Thu Nov 22 2012 - 13:47:22 PST)
Romelia Salomon
(Mon Nov 19 2012 - 13:47:10 PST)
Thomas Evangelidis
(Mon Nov 19 2012 - 11:39:52 PST)
Romelia Salomon
(Mon Nov 19 2012 - 10:20:25 PST)
Thomas Evangelidis
(Mon Nov 19 2012 - 08:46:54 PST)
Romelia Salomon
(Mon Nov 19 2012 - 08:35:36 PST)
Thomas Evangelidis
(Sun Nov 18 2012 - 13:48:51 PST)
[AMBER] questions about AMBER prep files
Yulin Huang
(Tue Nov 06 2012 - 14:43:11 PST)
Jason Swails
(Tue Nov 06 2012 - 14:38:47 PST)
Yulin Huang
(Tue Nov 06 2012 - 14:14:43 PST)
[AMBER] questions about thermodynamic integration atom name and order
Yulin Huang
(Wed Nov 07 2012 - 06:39:18 PST)
David A Case
(Wed Nov 07 2012 - 06:36:52 PST)
David A Case
(Wed Nov 07 2012 - 06:36:44 PST)
Jason Swails
(Tue Nov 06 2012 - 14:14:31 PST)
Yulin Huang
(Tue Nov 06 2012 - 12:30:27 PST)
David A Case
(Tue Nov 06 2012 - 12:06:20 PST)
Yulin Huang
(Tue Nov 06 2012 - 07:20:32 PST)
[AMBER] R.E.D calculation cannot be used for CHARMM FF?
FyD
(Thu Nov 29 2012 - 13:27:21 PST)
Albert
(Wed Nov 28 2012 - 00:57:19 PST)
[AMBER] Reading DESMOND MD trajectory files in CPPTRAJ...
Shashidhar Rao
(Tue Nov 27 2012 - 17:20:44 PST)
Daniel Roe
(Tue Nov 27 2012 - 16:42:24 PST)
Shashidhar Rao
(Tue Nov 27 2012 - 13:14:49 PST)
[AMBER] references ?
Bill Miller III
(Thu Nov 01 2012 - 12:33:24 PDT)
JAIME RUBIO MARTINEZ
(Thu Nov 01 2012 - 11:27:40 PDT)
[AMBER] Regarding Quadruplex Formation
David A Case
(Fri Nov 09 2012 - 17:53:04 PST)
Souvik Sur
(Fri Nov 09 2012 - 09:54:17 PST)
[AMBER] Regarding RNA Duplex formation
David A Case
(Wed Nov 14 2012 - 09:26:37 PST)
Souvik Sur
(Tue Nov 13 2012 - 22:50:26 PST)
[AMBER] residuegen
Osman, Roman
(Wed Nov 14 2012 - 14:59:52 PST)
[AMBER] sander.MPI
Jason Swails
(Thu Nov 29 2012 - 07:04:34 PST)
Fabian Glaser
(Thu Nov 29 2012 - 05:54:06 PST)
Fabian Glaser
(Thu Nov 29 2012 - 05:44:05 PST)
Jason Swails
(Thu Nov 29 2012 - 05:36:11 PST)
Fabian Glaser
(Thu Nov 29 2012 - 05:18:23 PST)
Jason Swails
(Thu Nov 29 2012 - 03:40:14 PST)
Daniel Sindhikara
(Wed Nov 28 2012 - 23:56:34 PST)
Fabian Glaser
(Wed Nov 28 2012 - 22:43:50 PST)
David A Case
(Wed Nov 28 2012 - 07:29:55 PST)
Fabian Glaser
(Wed Nov 28 2012 - 06:30:57 PST)
[AMBER] selecting a gpu device in multiple gpu system
Ross Walker
(Wed Nov 21 2012 - 10:09:35 PST)
Jason Swails
(Wed Nov 21 2012 - 06:35:54 PST)
Marc van der Kamp
(Wed Nov 21 2012 - 03:02:39 PST)
홍종희
(Wed Nov 21 2012 - 02:42:38 PST)
[AMBER] simulation for a protein + ligand system with polarizable force field
Jagur Lambix
(Tue Nov 27 2012 - 12:44:20 PST)
[AMBER] solvation free enrgy calculation using PB equation.
David A Case
(Thu Nov 01 2012 - 10:37:42 PDT)
Ray Luo, Ph.D.
(Thu Nov 01 2012 - 10:31:24 PDT)
baogen duan
(Thu Nov 01 2012 - 01:56:51 PDT)
[AMBER] Solvation in Amber
Ravi Tripathi
(Fri Nov 30 2012 - 02:02:09 PST)
Jason Swails
(Thu Nov 29 2012 - 04:52:37 PST)
Ravi Tripathi
(Thu Nov 29 2012 - 03:46:42 PST)
[AMBER] Sorry for the previous email
Eliana Asciutto
(Fri Nov 23 2012 - 07:33:03 PST)
[AMBER] strange deprotonation in QM/MM
Jacopo Sgrignani
(Thu Nov 22 2012 - 02:40:48 PST)
Alex Rodriguez
(Thu Nov 22 2012 - 02:34:09 PST)
Jacopo Sgrignani
(Wed Nov 21 2012 - 07:17:07 PST)
[AMBER] System blows up after several nanoseconds using Amber 12
Roitberg,Adrian E
(Sat Nov 10 2012 - 09:06:10 PST)
Sasha Perkins
(Sat Nov 10 2012 - 09:02:17 PST)
Jason Swails
(Sat Nov 10 2012 - 08:13:14 PST)
Roitberg,Adrian E
(Sat Nov 10 2012 - 07:37:48 PST)
Sasha Perkins
(Sat Nov 10 2012 - 07:32:45 PST)
Jason Swails
(Fri Nov 09 2012 - 20:34:26 PST)
Sasha Perkins
(Fri Nov 09 2012 - 19:19:40 PST)
[AMBER] The differences of MMPBSA calculations between AT1.5 and AT12, especially in PBSA solvation model.
Ray Luo
(Thu Nov 29 2012 - 19:24:28 PST)
徐见容
(Thu Nov 29 2012 - 18:43:05 PST)
[AMBER] The differences of MMPBSA calculations between AT1.5 andAT12, especially in PBSA solvation model.
徐见容
(Thu Nov 29 2012 - 19:05:52 PST)
[AMBER] Theorical ramachandran map/energy map of modified residues
Jason Swails
(Fri Nov 16 2012 - 11:11:50 PST)
Carlos Simmerling
(Fri Nov 16 2012 - 09:45:50 PST)
Baptiste Legrand
(Fri Nov 16 2012 - 09:25:13 PST)
[AMBER] Tleap crash while loading frcmod
David A Case
(Tue Nov 13 2012 - 05:07:32 PST)
Daniel Sindhikara
(Mon Nov 12 2012 - 22:00:12 PST)
Bill Ross
(Mon Nov 12 2012 - 21:41:36 PST)
Daniel Sindhikara
(Mon Nov 12 2012 - 20:25:59 PST)
[AMBER] tleap not recognizing Na+
David A Case
(Mon Nov 05 2012 - 12:11:17 PST)
Ilyas Yildirim
(Mon Nov 05 2012 - 10:59:25 PST)
Aron Broom
(Mon Nov 05 2012 - 10:58:37 PST)
David Condon
(Mon Nov 05 2012 - 10:23:40 PST)
[AMBER] trajout command in ptraj
rahul sarma
(Mon Nov 19 2012 - 20:14:01 PST)
Daniel Roe
(Mon Nov 19 2012 - 08:33:50 PST)
rahul sarma
(Sun Nov 18 2012 - 23:52:48 PST)
[AMBER] Umbrella sampling with pmemd
Roitberg,Adrian E
(Wed Nov 07 2012 - 07:03:25 PST)
Sajeewa Pemasinghe
(Tue Nov 06 2012 - 23:30:05 PST)
Roitberg,Adrian E
(Tue Nov 06 2012 - 23:03:34 PST)
Sajeewa Pemasinghe
(Tue Nov 06 2012 - 22:59:17 PST)
[AMBER] unsubscribe
Aust, Susanne
(Tue Nov 20 2012 - 01:13:01 PST)
[AMBER] Urgent
Ross Walker
(Sun Nov 11 2012 - 23:26:41 PST)
Faez Iqbal khan
(Sun Nov 11 2012 - 23:14:23 PST)
[AMBER] using nudged elastic band method with explicit solvent
Tan Yaw Sing
(Thu Nov 08 2012 - 18:57:18 PST)
Christina Bergonzo
(Thu Nov 08 2012 - 08:35:07 PST)
Tan Yaw Sing
(Thu Nov 08 2012 - 02:48:00 PST)
[AMBER] UTP and CTP amber force field parameters
FyD
(Tue Nov 27 2012 - 21:45:55 PST)
dbaogen
(Tue Nov 27 2012 - 04:43:54 PST)
[AMBER] very large value of "fglen" and "cglen" during MMPBSA.py calculatio using sander.APBS
dbaogen
(Thu Nov 15 2012 - 05:13:13 PST)
[AMBER] vlimit exceed for step 1- regarding
Ross Walker
(Thu Nov 01 2012 - 22:32:37 PDT)
subramanian boopathi
(Thu Nov 01 2012 - 21:55:42 PDT)
[AMBER] vlimit exceeded error regarding
Ross Walker
(Fri Nov 02 2012 - 09:21:50 PDT)
subramanian boopathi
(Fri Nov 02 2012 - 08:01:24 PDT)
[AMBER] WARNING: a parameter is 0.0 for atom
Gustavo Seabra
(Fri Nov 16 2012 - 03:19:46 PST)
Jacopo Sgrignani
(Fri Nov 16 2012 - 03:07:31 PST)
Gustavo Seabra
(Fri Nov 16 2012 - 02:51:16 PST)
Jacopo Sgrignani
(Fri Nov 16 2012 - 01:51:09 PST)
[AMBER] What nonbonded interactions cutoff to use in amber.
Jason Swails
(Mon Nov 26 2012 - 05:52:52 PST)
Itamar Kass
(Sun Nov 25 2012 - 18:57:38 PST)
[AMBER] Will Ptraj image the coordinates after rms fitting?
Alan
(Tue Nov 06 2012 - 23:12:13 PST)
[AMBER] workstation
Ross Walker
(Mon Nov 05 2012 - 12:39:26 PST)
. mirage
(Mon Nov 05 2012 - 08:45:39 PST)
[AMBER] Xleap rotation in mac OS
Jason Swails
(Tue Nov 27 2012 - 04:28:22 PST)
Hirdesh Kumar
(Tue Nov 27 2012 - 00:47:51 PST)
problem for lipid GAFF
Albert
(Wed Nov 14 2012 - 01:57:44 PST)
klechward.wp.pl
(Wed Nov 14 2012 - 01:28:19 PST)
The differences of MMPBSA calculations between AT1.5and AT12, especially in PBSA solvation model.
Ray Luo, Ph.D.
(Fri Nov 30 2012 - 09:28:55 PST)
徐见容
(Thu Nov 29 2012 - 22:51:16 PST)
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Fri Nov 30 2012 - 23:30:03 PST
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