Amber Archive Dec 2011 by thread
564 messages
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Starting
Wed Nov 30 2011 - 15:30:03 PST,
Ending
Sat Dec 31 2011 - 08:00:03 PST
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Re: [AMBER] Sufficient CPU cores/GPU ratio ?
Marek Maly
(Wed Nov 30 2011 - 15:01:29 PST)
[AMBER] error in MD simulation
kureeckal ramesh
(Wed Nov 30 2011 - 19:42:29 PST)
Re: [AMBER] error in MD simulation
kureeckal ramesh
(Wed Nov 30 2011 - 21:24:53 PST)
[AMBER] will AM1-BCC good enough for GAFF lipids?
Albert
(Wed Nov 30 2011 - 23:02:19 PST)
Re: [AMBER] will AM1-BCC good enough for GAFF lipids?
FyD
(Thu Dec 01 2011 - 00:06:09 PST)
Re: [AMBER] will AM1-BCC good enough for GAFF lipids?
Albert
(Thu Dec 01 2011 - 00:14:26 PST)
Re: [AMBER] will AM1-BCC good enough for GAFF lipids?
Albert
(Thu Dec 01 2011 - 00:37:16 PST)
Re: [AMBER] will AM1-BCC good enough for GAFF lipids?
FyD
(Thu Dec 01 2011 - 01:01:40 PST)
Re: [AMBER] will AM1-BCC good enough for GAFF lipids?
Albert
(Thu Dec 01 2011 - 15:36:50 PST)
Re: [AMBER] will AM1-BCC good enough for GAFF lipids?
FyD
(Fri Dec 02 2011 - 00:02:10 PST)
Re: [AMBER] will AM1-BCC good enough for GAFF lipids?
Albert
(Fri Dec 02 2011 - 01:03:47 PST)
Re: [AMBER] will AM1-BCC good enough for GAFF lipids?
Vlad Cojocaru
(Fri Dec 02 2011 - 01:58:17 PST)
Re: [AMBER] will AM1-BCC good enough for GAFF lipids?
Vlad Cojocaru
(Fri Dec 02 2011 - 02:03:15 PST)
Re: [AMBER] will AM1-BCC good enough for GAFF lipids?
Albert
(Fri Dec 02 2011 - 05:43:13 PST)
Re: [AMBER] D-N-Sulfate-glucosamine net charge
FyD
(Wed Nov 30 2011 - 23:40:45 PST)
[AMBER] R: CUDA NaN error occuring at "wrapping first mol"
Giovanni Pavan
(Thu Dec 01 2011 - 01:20:08 PST)
[AMBER] NAB possibility for automatic creation of initial configurations of unusual DNA/RNA "duplexes" ?
Marek Maly
(Thu Dec 01 2011 - 02:53:53 PST)
Re: [AMBER] NAB possibility for automatic creation of initial configurations of unusual DNA/RNA "duplexes" ?
David A Case
(Fri Dec 02 2011 - 04:59:32 PST)
Re: [AMBER] NAB possibility for automatic creation of initial configurations of unusual DNA/RNA "duplexes" ?
Marek Maly
(Fri Dec 02 2011 - 05:36:11 PST)
[AMBER] atom types error
Urszula Uciechowska
(Thu Dec 01 2011 - 03:36:06 PST)
Re: [AMBER] atom types error
FyD
(Thu Dec 01 2011 - 04:20:53 PST)
Re: [AMBER] atom types error
Urszula Uciechowska
(Thu Dec 01 2011 - 05:25:32 PST)
Re: [AMBER] atom types error
FyD
(Thu Dec 01 2011 - 06:21:22 PST)
Re: [AMBER] combination of CHAMBER prmtop and pmemd.cuda is causing serious instability
Marc van der Kamp
(Thu Dec 01 2011 - 05:55:34 PST)
Re: [AMBER] combination of CHAMBER prmtop and pmemd.cuda is causing serious instability
Joshua Adelman
(Thu Dec 01 2011 - 06:13:55 PST)
Re: [AMBER] combination of CHAMBER prmtop and pmemd.cuda is causing serious instability
Ross Walker
(Thu Dec 01 2011 - 07:07:41 PST)
Re: [AMBER] combination of CHAMBER prmtop and pmemd.cuda is causing serious instability
Scott Le Grand
(Thu Dec 01 2011 - 08:05:13 PST)
Re: [AMBER] combination of CHAMBER prmtop and pmemd.cuda is causing serious instability
Ross Walker
(Thu Dec 01 2011 - 09:15:12 PST)
Re: [AMBER] combination of CHAMBER prmtop and pmemd.cuda is causing serious instability
Scott Le Grand
(Thu Dec 01 2011 - 09:23:28 PST)
Re: [AMBER] combination of CHAMBER prmtop and pmemd.cuda is causing serious instability
Marc van der Kamp
(Mon Dec 19 2011 - 01:53:36 PST)
Re: [AMBER] combination of CHAMBER prmtop and pmemd.cuda is causing serious instability
Ross Walker
(Mon Dec 19 2011 - 09:31:07 PST)
Re: [AMBER] combination of CHAMBER prmtop and pmemd.cuda is causing serious instability
Marc van der Kamp
(Tue Dec 20 2011 - 02:03:05 PST)
Re: [AMBER] combination of CHAMBER prmtop and pmemd.cuda is causing serious instability
Mark Williamson
(Tue Dec 20 2011 - 02:22:59 PST)
Re: [AMBER] combination of CHAMBER prmtop and pmemd.cuda is causing serious instability
Mark Williamson
(Tue Dec 20 2011 - 04:18:22 PST)
[AMBER] MM_PBSA
Toshifumi Yui
(Tue Dec 20 2011 - 05:41:00 PST)
Re: [AMBER] MM_PBSA
Jason Swails
(Tue Dec 20 2011 - 13:21:56 PST)
Re: [AMBER] MM_PBSA
Toshifumi Yui
(Tue Dec 20 2011 - 17:31:30 PST)
Re: [AMBER] MM_PBSA
Jason Swails
(Tue Dec 20 2011 - 20:11:15 PST)
Re: [AMBER] MM_PBSA
Toshifumi Yui
(Wed Dec 21 2011 - 01:25:51 PST)
Re: [AMBER] combination of CHAMBER prmtop and pmemd.cuda is causing serious instability
Marc van der Kamp
(Tue Dec 20 2011 - 08:20:19 PST)
Re: [AMBER] combination of CHAMBER prmtop and pmemd.cuda is causing serious instability
Mark Williamson
(Tue Dec 20 2011 - 11:23:02 PST)
Re: [AMBER] combination of CHAMBER prmtop and pmemd.cuda is causing serious instability
Marc van der Kamp
(Wed Dec 21 2011 - 02:07:23 PST)
Re: [AMBER] combination of CHAMBER prmtop and pmemd.cuda is causing serious instability
Mark Williamson
(Wed Dec 21 2011 - 04:29:34 PST)
Re: [AMBER] combination of CHAMBER prmtop and pmemd.cuda is causing serious instability
Scott Le Grand
(Wed Dec 21 2011 - 07:34:26 PST)
Re: [AMBER] Problem running Ptraj with CHARMM psf and dcd trajectory file
Daniel Roe
(Thu Dec 01 2011 - 13:10:29 PST)
Re: [AMBER] MCPB execution error
Martin Peters
(Thu Dec 01 2011 - 14:15:53 PST)
Re: [AMBER] MCPB execution error
Soma Ghosh
(Thu Dec 01 2011 - 22:24:29 PST)
Re: [AMBER] MCPB execution error
Soma Ghosh
(Mon Dec 05 2011 - 21:31:59 PST)
Re: [AMBER] MCPB execution error
Ben Roberts
(Tue Dec 06 2011 - 08:53:36 PST)
Re: [AMBER] MCPB execution error
Soma Ghosh
(Tue Dec 06 2011 - 22:23:31 PST)
Re: [AMBER] MCPB execution error
Soma Ghosh
(Sun Dec 11 2011 - 20:05:48 PST)
Re: [AMBER] MCPB execution error
Ben Roberts
(Sun Dec 11 2011 - 20:12:14 PST)
Re: [AMBER] MCPB execution error
Ben Roberts
(Sun Dec 11 2011 - 20:17:10 PST)
Re: [AMBER] MCPB execution error
Soma Ghosh
(Sun Dec 11 2011 - 20:54:10 PST)
Re: [AMBER] MCPB execution error
Martin Peters
(Mon Dec 12 2011 - 13:23:47 PST)
Re: [AMBER] MCPB execution error
Soma Ghosh
(Mon Dec 12 2011 - 19:30:54 PST)
Re: [AMBER] CUDA NaN error occuring at "wrapping first mol"
Bill Sinko
(Thu Dec 01 2011 - 16:20:30 PST)
Re: [AMBER] CUDA NaN error occuring at "wrapping first mol"
Scott Le Grand
(Thu Dec 01 2011 - 16:32:09 PST)
Re: [AMBER] chlorine naming question and parametrization
Jason Swails
(Thu Dec 01 2011 - 19:29:08 PST)
[AMBER] error in reading mol2 file by tleap
kureeckal ramesh
(Thu Dec 01 2011 - 20:17:18 PST)
Re: [AMBER] error in reading mol2 file by tleap
David A Case
(Fri Dec 02 2011 - 05:01:31 PST)
[AMBER] single longer simulation Vs multiple shorter simulation
Bala subramanian
(Thu Dec 01 2011 - 23:18:38 PST)
Re: [AMBER] single longer simulation Vs multiple shorter simulation
Jason Swails
(Fri Dec 02 2011 - 06:42:57 PST)
[AMBER] ptraj issues
Nyla Zaman
(Fri Dec 02 2011 - 00:58:17 PST)
Re: [AMBER] ptraj issues
Daniel Roe
(Fri Dec 02 2011 - 06:37:28 PST)
[AMBER] charge groups of a ligand
Thomas Evangelidis
(Fri Dec 02 2011 - 06:44:29 PST)
Re: [AMBER] charge groups of a ligand
David A Case
(Fri Dec 02 2011 - 08:24:29 PST)
Re: [AMBER] charge groups of a ligand
Thomas Evangelidis
(Fri Dec 02 2011 - 11:25:41 PST)
Re: [AMBER] charge groups of a ligand
David A Case
(Fri Dec 02 2011 - 12:52:24 PST)
[AMBER] At line 2763 of file _ew_setup.f
Jorgen Simonsen
(Fri Dec 02 2011 - 07:03:20 PST)
Re: [AMBER] At line 2763 of file _ew_setup.f
Jason Swails
(Fri Dec 02 2011 - 07:32:20 PST)
Re: [AMBER] At line 2763 of file _ew_setup.f
Brian Radak
(Fri Dec 02 2011 - 07:35:46 PST)
Re: [AMBER] At line 2763 of file _ew_setup.f
Jason Swails
(Fri Dec 02 2011 - 07:37:52 PST)
Re: [AMBER] At line 2763 of file _ew_setup.f
Jorgen Simonsen
(Fri Dec 02 2011 - 07:53:45 PST)
Re: [AMBER] At line 2763 of file _ew_setup.f
Jason Swails
(Fri Dec 02 2011 - 07:57:18 PST)
Re: [AMBER] At line 2763 of file _ew_setup.f
Bill Ross
(Fri Dec 02 2011 - 15:02:34 PST)
[AMBER] Glutathione with disufide-bond
german.erlenkamp.pharmazie.uni-halle.de
(Fri Dec 02 2011 - 07:08:07 PST)
Re: [AMBER] How MCPB add ligand withasmallmoleculein*_siderchain.bcl
Ben Roberts
(Fri Dec 02 2011 - 07:23:19 PST)
[AMBER] Two bugs in MCPB
JiYuan Liu
(Thu Dec 01 2011 - 04:45:40 PST)
Re: [AMBER] Two bugs in MCPB
JiYuan Liu
(Sun Dec 04 2011 - 22:12:22 PST)
Re: [AMBER] How to fix the installation problem of mopac
Crystal.CHIA-YU Ku
(Fri Dec 02 2011 - 14:18:13 PST)
Re: [AMBER] How to repair defect RNA residues?
Crystal.CHIA-YU Ku
(Fri Dec 02 2011 - 14:25:34 PST)
[AMBER] Hybridization Question
Sasha Perkins
(Fri Dec 02 2011 - 16:48:09 PST)
Re: [AMBER] Hybridization Question
case
(Sat Dec 03 2011 - 06:34:17 PST)
Re: [AMBER] Hybridization Question
Bill Ross
(Sat Dec 03 2011 - 12:12:34 PST)
[AMBER] amber11, AmberTools 1.5 installation problem on Suse 10
M. Shahid
(Sat Dec 03 2011 - 03:43:55 PST)
Re: [AMBER] amber11, AmberTools 1.5 installation problem on Suse 10
case
(Sat Dec 03 2011 - 06:39:59 PST)
Re: [AMBER] amber - TUTORIAL A9
Atila Petrosian
(Sat Dec 03 2011 - 04:25:04 PST)
Re: [AMBER] amber - TUTORIAL A9
steinbrt.rci.rutgers.edu
(Sun Dec 04 2011 - 11:54:16 PST)
[AMBER] constant pressure
kirtana S
(Sat Dec 03 2011 - 11:42:44 PST)
Re: [AMBER] constant pressure
case
(Sat Dec 03 2011 - 15:07:15 PST)
Re: [AMBER] constant pressure
kirtana S
(Sat Dec 03 2011 - 16:02:00 PST)
Re: [AMBER] constant pressure
Yong Duan
(Sun Dec 04 2011 - 00:42:53 PST)
Re: [AMBER] constant pressure
kirtana S
(Sun Dec 04 2011 - 10:22:49 PST)
Re: [AMBER] constant pressure
Yong Duan
(Sun Dec 04 2011 - 10:52:50 PST)
Re: [AMBER] constant pressure
Brian Radak
(Sun Dec 04 2011 - 11:14:24 PST)
Re: [AMBER] constant pressure
kirtana S
(Sun Dec 04 2011 - 11:52:54 PST)
Re: [AMBER] constant pressure
Yong Duan
(Sun Dec 04 2011 - 12:43:32 PST)
Re: [AMBER] constant pressure
kirtana S
(Sun Dec 04 2011 - 12:59:21 PST)
Re: [AMBER] constant pressure
Yong Duan
(Sun Dec 04 2011 - 13:04:16 PST)
Re: [AMBER] constant pressure
kirtana S
(Sun Dec 04 2011 - 19:27:29 PST)
Re: [AMBER] constant pressure
Yong Duan
(Sun Dec 04 2011 - 22:04:26 PST)
Re: [AMBER] constant pressure
kirtana S
(Sun Dec 04 2011 - 22:18:17 PST)
Re: [AMBER] constant pressure
Yong Duan
(Sun Dec 04 2011 - 23:14:50 PST)
Re: [AMBER] constant pressure
David A Case
(Mon Dec 05 2011 - 05:19:08 PST)
Re: [AMBER] constant pressure
kirtana S
(Mon Dec 05 2011 - 15:18:11 PST)
Re: [AMBER] constant pressure
Yong Duan
(Mon Dec 05 2011 - 21:28:17 PST)
Re: [AMBER] constant pressure
Bill Ross
(Sun Dec 04 2011 - 12:02:43 PST)
Re: [AMBER] constant pressure
kirtana S
(Sun Dec 04 2011 - 12:21:13 PST)
Re: [AMBER] constant pressure
Bill Ross
(Sun Dec 04 2011 - 12:36:55 PST)
Re: [AMBER] constant pressure
kirtana S
(Sun Dec 04 2011 - 12:46:04 PST)
Re: [AMBER] constant pressure
Bill Ross
(Sun Dec 04 2011 - 14:10:43 PST)
Re: [AMBER] constant pressure
Bill Ross
(Sun Dec 04 2011 - 14:13:04 PST)
Re: [AMBER] constant pressure
Bill Ross
(Sun Dec 04 2011 - 14:31:42 PST)
Re: [AMBER] constant pressure
Bill Ross
(Sun Dec 04 2011 - 20:10:05 PST)
Re: [AMBER] constant pressure
kirtana S
(Sun Dec 04 2011 - 20:28:57 PST)
Re: [AMBER] constant pressure
Bill Ross
(Sun Dec 04 2011 - 21:07:14 PST)
Re: [AMBER] constant pressure
Bill Ross
(Mon Dec 05 2011 - 23:46:45 PST)
[AMBER] problem setting drms to low values
Attilio Vittorio Vargiu
(Sat Dec 03 2011 - 23:31:53 PST)
Re: [AMBER] problem setting drms to low values
David A Case
(Mon Dec 05 2011 - 05:22:30 PST)
Re: [AMBER] problem setting drms to low values
Attilio Vittorio Vargiu
(Mon Dec 05 2011 - 14:52:21 PST)
Re: [AMBER] problem setting drms to low values
Attilio Vittorio Vargiu
(Wed Dec 07 2011 - 11:15:48 PST)
Re: [AMBER] problem setting drms to low values
Attilio Vittorio Vargiu
(Thu Dec 08 2011 - 09:14:16 PST)
Re: [AMBER] problem setting drms to low values
David A Case
(Thu Dec 08 2011 - 10:41:55 PST)
Re: [AMBER] problem setting drms to low values
Attilio Vittorio Vargiu
(Thu Dec 08 2011 - 11:17:11 PST)
[AMBER] relative binding free energy - tutorial a9
leila karami
(Sat Dec 03 2011 - 23:48:51 PST)
Re: [AMBER] relative binding free energy - tutorial a9
steinbrt.rci.rutgers.edu
(Sun Dec 04 2011 - 11:57:54 PST)
Re: [AMBER] relative binding free energy - tutorial a9
leila karami
(Mon Dec 05 2011 - 01:48:08 PST)
Re: [AMBER] relative binding free energy - tutorial a9
steinbrt.rci.rutgers.edu
(Mon Dec 05 2011 - 04:19:22 PST)
[AMBER] amber - TUTORIAL A9
Atila Petrosian
(Sun Dec 04 2011 - 04:20:48 PST)
Re: [AMBER] amber - TUTORIAL A9
steinbrt.rci.rutgers.edu
(Sun Dec 04 2011 - 12:02:04 PST)
[AMBER] TI in Amber and the TUTORIAL A9
Marek Maly
(Sun Dec 04 2011 - 15:42:49 PST)
Re: [AMBER] TI in Amber and the TUTORIAL A9
steinbrt.rci.rutgers.edu
(Mon Dec 05 2011 - 04:05:41 PST)
Re: [AMBER] TI in Amber and the TUTORIAL A9
Marek Maly
(Mon Dec 05 2011 - 15:38:28 PST)
Re: [AMBER] TI in Amber and the TUTORIAL A9
steinbrt.rci.rutgers.edu
(Tue Dec 06 2011 - 01:41:53 PST)
Re: [AMBER] TI in Amber and the TUTORIAL A9
Marek Maly
(Thu Dec 08 2011 - 13:48:18 PST)
Re: [AMBER] TI in Amber and the TUTORIAL A9
Marek Maly
(Fri Dec 09 2011 - 10:44:21 PST)
Re: [AMBER] TI in Amber and the TUTORIAL A9
steinbrt.rci.rutgers.edu
(Fri Dec 09 2011 - 12:27:24 PST)
Re: [AMBER] TI in Amber and the TUTORIAL A9
Marek Maly
(Sat Dec 10 2011 - 09:04:51 PST)
[AMBER] RMSD ptaj difficulty
vaibhav dixit
(Sun Dec 04 2011 - 21:18:25 PST)
Re: [AMBER] RMSD ptaj difficulty
Thomas Cheatham
(Sun Dec 04 2011 - 21:32:27 PST)
Re: [AMBER] RMSD ptaj difficulty
vaibhav dixit
(Sun Dec 04 2011 - 22:38:00 PST)
Re: [AMBER] RMSD ptaj difficulty
Daniel Roe
(Mon Dec 05 2011 - 07:12:37 PST)
Re: [AMBER] RMSD ptaj difficulty
vaibhav dixit
(Sun Dec 04 2011 - 22:38:47 PST)
[AMBER] Problem with running antechamber on a small molecule
Devlina Chakravarty
(Mon Dec 05 2011 - 02:53:36 PST)
Re: [AMBER] Problem with running antechamber on a small molecule
Ashutosh Shandilya
(Mon Dec 05 2011 - 03:02:03 PST)
[AMBER] atom types for pyridine ...
Urszula Uciechowska
(Mon Dec 05 2011 - 03:28:09 PST)
Re: [AMBER] atom types for pyridine ...
David A Case
(Mon Dec 05 2011 - 05:34:10 PST)
Re: [AMBER] atom types for pyridine ...
FyD
(Mon Dec 05 2011 - 22:24:07 PST)
Re: [AMBER] atom types for pyridine ...
FyD
(Mon Dec 05 2011 - 22:36:42 PST)
Re: [AMBER] atom types for pyridine ...
Urszula Uciechowska
(Tue Dec 06 2011 - 02:04:57 PST)
Re: [AMBER] atom types for pyridine ...
FyD
(Tue Dec 06 2011 - 08:30:48 PST)
[AMBER] rdf-center of mass
subrata paul
(Mon Dec 05 2011 - 05:45:16 PST)
[AMBER] AMBER11, pmemd.cuda: the system crashed.
Chinh Su Tran To
(Mon Dec 05 2011 - 19:33:22 PST)
Re: [AMBER] AMBER11, pmemd.cuda: the system crashed.
Scott Le Grand
(Mon Dec 05 2011 - 20:35:41 PST)
Re: [AMBER] AMBER11, pmemd.cuda: the system crashed.
Ross Walker
(Mon Dec 05 2011 - 21:01:15 PST)
Re: [AMBER] AMBER11, pmemd.cuda: the system crashed.
Chinh Su Tran To
(Mon Dec 05 2011 - 21:18:38 PST)
Re: [AMBER] AMBER11, pmemd.cuda: the system crashed.
Chinh Su Tran To
(Mon Dec 12 2011 - 20:04:10 PST)
Re: [AMBER] AMBER11, pmemd.cuda: the system crashed.
Ross Walker
(Mon Dec 12 2011 - 20:09:36 PST)
Re: [AMBER] AMBER11, pmemd.cuda: the system crashed.
Chinh Su Tran To
(Tue Dec 13 2011 - 20:03:50 PST)
Re: [AMBER] AMBER11, pmemd.cuda: the system crashed.
Ross Walker
(Wed Dec 14 2011 - 14:06:52 PST)
Re: [AMBER] AMBER11, pmemd.cuda: the system crashed.
Chinh Su Tran To
(Wed Dec 14 2011 - 19:19:46 PST)
Re: [AMBER] compiling pmemd in amber9
Vijay Manickam Achari
(Tue Dec 06 2011 - 02:50:37 PST)
Re: [AMBER] compiling pmemd in amber9
David A Case
(Tue Dec 06 2011 - 05:41:06 PST)
Re: [AMBER] compiling pmemd in amber9
Vijay Manickam Achari
(Tue Dec 06 2011 - 19:22:30 PST)
Re: [AMBER] compiling pmemd in amber9
David A Case
(Wed Dec 07 2011 - 05:39:07 PST)
[AMBER] mmView - a tool for mmCIF exploration
Daniel Svozil
(Tue Dec 06 2011 - 03:32:39 PST)
[AMBER] How to turn off non-bonded interactions between non-bonded atoms?
Marc van der Kamp
(Tue Dec 06 2011 - 08:15:41 PST)
Re: [AMBER] How to turn off non-bonded interactions between non-bonded atoms?
Jason Swails
(Tue Dec 06 2011 - 09:03:01 PST)
Re: [AMBER] How to turn off non-bonded interactions between non-bonded atoms?
Marc van der Kamp
(Tue Dec 06 2011 - 09:16:10 PST)
Re: [AMBER] How to turn off non-bonded interactions between non-bonded atoms?
Jason Swails
(Tue Dec 06 2011 - 11:50:56 PST)
Re: [AMBER] How to turn off non-bonded interactions between non-bonded atoms?
Marc van der Kamp
(Tue Dec 06 2011 - 12:35:04 PST)
Re: [AMBER] How to turn off non-bonded interactions between non-bonded atoms?
Jason Swails
(Tue Dec 06 2011 - 17:07:23 PST)
Re: [AMBER] How to turn off non-bonded interactions between non-bonded atoms?
Marc van der Kamp
(Wed Dec 07 2011 - 02:15:26 PST)
Re: [AMBER] How to turn off non-bonded interactions between non-bonded atoms?
Jason Swails
(Wed Dec 07 2011 - 05:42:42 PST)
Re: [AMBER] How to turn off non-bonded interactions between non-bonded atoms?
David A Case
(Thu Dec 08 2011 - 04:53:17 PST)
Re: [AMBER] How to turn off non-bonded interactions between non-bonded atoms?
Marc van der Kamp
(Thu Dec 08 2011 - 06:43:28 PST)
Re: [AMBER] How to turn off non-bonded interactions between non-bonded atoms?
Ross Walker
(Thu Dec 08 2011 - 08:59:14 PST)
Re: [AMBER] How to turn off non-bonded interactions between non-bonded atoms?
Marc van der Kamp
(Thu Dec 08 2011 - 09:48:13 PST)
Re: [AMBER] How to turn off non-bonded interactions between non-bonded atoms?
Yong Duan
(Thu Dec 08 2011 - 14:48:40 PST)
Re: [AMBER] atom types for pyridine II...
FyD
(Tue Dec 06 2011 - 08:37:04 PST)
Re: [AMBER] atom types for pyridine II...
Urszula Uciechowska
(Wed Dec 07 2011 - 01:46:06 PST)
Re: [AMBER] atom types for pyridine II...
FyD
(Wed Dec 07 2011 - 06:23:34 PST)
[AMBER] Doubt in atomicfluct usage
Asmita Gupta
(Tue Dec 06 2011 - 09:50:50 PST)
[AMBER] Minimization and Heating error
kirtana S
(Tue Dec 06 2011 - 09:50:57 PST)
Re: [AMBER] Minimization and Heating error
Yong Duan
(Tue Dec 06 2011 - 11:04:46 PST)
Re: [AMBER] Minimization and Heating error
kirtana S
(Tue Dec 06 2011 - 11:27:02 PST)
Re: [AMBER] Minimization and Heating error
Yong Duan
(Tue Dec 06 2011 - 11:56:14 PST)
Re: [AMBER] Minimization and Heating error
kirtana S
(Tue Dec 06 2011 - 12:06:44 PST)
Re: [AMBER] Minimization and Heating error
Sangita Kachhap
(Wed Dec 07 2011 - 00:13:52 PST)
Re: [AMBER] Minimization and Heating error
kirtana S
(Wed Dec 07 2011 - 12:32:31 PST)
Re: [AMBER] Minimization and Heating error
Bill Ross
(Wed Dec 07 2011 - 15:19:53 PST)
Re: [AMBER] Minimization and Heating error
kirtana S
(Wed Dec 07 2011 - 15:45:21 PST)
Re: [AMBER] Minimization and Heating error
Bill Ross
(Wed Dec 07 2011 - 17:37:49 PST)
[AMBER] Doubt in atomicfluct usage
Asmita Gupta
(Tue Dec 06 2011 - 09:57:56 PST)
[AMBER] Adaptively Biased Molecular Dynamics
Aron Broom
(Tue Dec 06 2011 - 15:39:31 PST)
Re: [AMBER] Adaptively Biased Molecular Dynamics
case
(Tue Dec 06 2011 - 17:51:42 PST)
Re: [AMBER] Adaptively Biased Molecular Dynamics
Aron Broom
(Tue Dec 06 2011 - 17:58:59 PST)
[AMBER] which force field to choose for implicit solvent simulation?
Jose Borreguero
(Wed Dec 07 2011 - 08:43:13 PST)
Re: [AMBER] which force field to choose for implicit solvent simulation?
Carlos Simmerling
(Wed Dec 07 2011 - 10:17:23 PST)
Re: [AMBER] which force field to choose for implicit solvent simulation?
Jose Borreguero
(Wed Dec 07 2011 - 11:12:29 PST)
Re: [AMBER] which force field to choose for implicit solvent simulation?
David A Case
(Thu Dec 08 2011 - 05:00:07 PST)
Re: [AMBER] which force field to choose for implicit solvent simulation?
Carlos Simmerling
(Thu Dec 08 2011 - 05:11:54 PST)
[AMBER] Has charged system correction term been implemented in PME?
Surya Prakash Tiwari
(Wed Dec 07 2011 - 20:16:16 PST)
Re: [AMBER] Has charged system correction term been implemented in PME?
David A Case
(Thu Dec 08 2011 - 05:57:13 PST)
[AMBER] AMBER GPU event in London 14th of December Cancellation
Gould, Ian R
(Thu Dec 08 2011 - 08:07:02 PST)
[AMBER] Order of ff99SB and GLYCAM when using xleap
Sai Kumar Ramadugu
(Thu Dec 08 2011 - 09:07:19 PST)
Re: [AMBER] Order of ff99SB and GLYCAM when using xleap
Lachele Foley (Lists)
(Thu Dec 08 2011 - 09:22:38 PST)
Re: [AMBER] Order of ff99SB and GLYCAM when using xleap
Sai Kumar Ramadugu
(Thu Dec 08 2011 - 11:59:27 PST)
Re: [AMBER] Order of ff99SB and GLYCAM when using xleap
Aron Broom
(Thu Dec 08 2011 - 12:29:39 PST)
Re: [AMBER] Order of ff99SB and GLYCAM when using xleap
Sai Kumar Ramadugu
(Thu Dec 08 2011 - 16:46:31 PST)
Re: [AMBER] Order of ff99SB and GLYCAM when using xleap
Lachele Foley (Lists)
(Thu Dec 08 2011 - 17:27:49 PST)
Re: [AMBER] Order of ff99SB and GLYCAM when using xleap
Lachele Foley (Lists)
(Thu Dec 15 2011 - 10:04:28 PST)
[AMBER] FATAL: Could not read velocities from step3.crd
Urszula Uciechowska
(Fri Dec 09 2011 - 01:54:11 PST)
[AMBER] assigning a primed atom
Toshifumi Yui
(Fri Dec 09 2011 - 02:27:47 PST)
Re: [AMBER] assigning a primed atom
Daniel Roe
(Fri Dec 09 2011 - 04:33:28 PST)
Re: [AMBER] assigning a primed atom
Thomas Cheatham
(Sat Dec 10 2011 - 11:04:40 PST)
Re: [AMBER] FATAL: Could not read velocities from step3.crd
David A Case
(Fri Dec 09 2011 - 07:38:03 PST)
Re: [AMBER] FATAL: Could not read velocities from step3.crd
Bill Ross
(Fri Dec 09 2011 - 12:02:25 PST)
[AMBER] Amber11 compile
yukio
(Fri Dec 09 2011 - 02:55:33 PST)
Re: [AMBER] Amber11 compile
Daniel Roe
(Fri Dec 09 2011 - 04:36:19 PST)
Re: [AMBER] Amber11 compile
yukio
(Fri Dec 09 2011 - 06:42:52 PST)
[AMBER] problems with getting right parameters ...
Urszula Uciechowska
(Fri Dec 09 2011 - 03:58:59 PST)
Re: [AMBER] problems with getting right parameters ...
FyD
(Fri Dec 09 2011 - 05:11:05 PST)
[AMBER] single -step transformation TI calculation
Victor Ma
(Fri Dec 09 2011 - 12:19:01 PST)
Re: [AMBER] single -step transformation TI calculation
steinbrt.rci.rutgers.edu
(Fri Dec 09 2011 - 12:37:08 PST)
Re: [AMBER] single -step transformation TI calculation
Victor Ma
(Fri Dec 09 2011 - 13:18:22 PST)
Re: [AMBER] single -step transformation TI calculation
steinbrt.rci.rutgers.edu
(Sat Dec 10 2011 - 03:14:50 PST)
Re: [AMBER] single -step transformation TI calculation
Victor Ma
(Sun Dec 11 2011 - 09:07:41 PST)
Re: [AMBER] single -step transformation TI calculation
Victor Ma
(Fri Dec 16 2011 - 09:23:30 PST)
Re: [AMBER] single -step transformation TI calculation
steinbrt.rci.rutgers.edu
(Fri Dec 16 2011 - 09:44:13 PST)
Re: [AMBER] single -step transformation TI calculation
Victor Ma
(Fri Dec 16 2011 - 14:43:31 PST)
Re: [AMBER] single -step transformation TI calculation
steinbrt.rci.rutgers.edu
(Sat Dec 17 2011 - 02:46:21 PST)
[AMBER] ATTN GLYCAM users: CY atom type work around
Jodi Ann Hadden
(Fri Dec 09 2011 - 16:50:07 PST)
Re: [AMBER] ATTN GLYCAM users: CY atom type work around
Aron Broom
(Fri Dec 09 2011 - 17:26:15 PST)
Re: [AMBER] ATTN GLYCAM users: CY atom type work around
Lachele Foley (Lists)
(Fri Dec 09 2011 - 17:28:48 PST)
Re: [AMBER] ATTN GLYCAM users: CY atom type work around
Aron Broom
(Fri Dec 09 2011 - 17:34:38 PST)
Re: [AMBER] ATTN GLYCAM users: CY atom type work around
Lachele Foley (Lists)
(Fri Dec 09 2011 - 17:41:50 PST)
Re: [AMBER] ATTN GLYCAM users: CY atom type work around
Lachele Foley (Lists)
(Thu Dec 15 2011 - 07:29:43 PST)
[AMBER] Problem with GDP parameters generation
neeru sharma
(Sat Dec 10 2011 - 01:33:44 PST)
Re: [AMBER] Problem with GDP parameters generation
Marc van der Kamp
(Sat Dec 10 2011 - 03:08:40 PST)
Re: [AMBER] Problem with GDP parameters generation
Marc van der Kamp
(Sat Dec 10 2011 - 03:10:48 PST)
Re: [AMBER] Problem with GDP parameters generation
neeru sharma
(Sat Dec 10 2011 - 05:53:05 PST)
Re: [AMBER] Problem with GDP parameters generation
case
(Sat Dec 10 2011 - 06:33:12 PST)
Re: [AMBER] Problem with GDP parameters generation
neeru sharma
(Sat Dec 10 2011 - 06:51:48 PST)
Re: [AMBER] Problem with GDP parameters generation
David A Case
(Mon Dec 12 2011 - 05:52:51 PST)
Re: [AMBER] Problem with GDP parameters generation
neeru sharma
(Mon Dec 12 2011 - 07:14:44 PST)
Re: [AMBER] Problem with GDP parameters generation
FyD
(Sun Dec 11 2011 - 11:09:42 PST)
[AMBER] Need GDP parameters for ff03
neeru sharma
(Sun Dec 11 2011 - 05:35:15 PST)
Re: [AMBER] Need GDP parameters for ff03
Carlos Simmerling
(Sun Dec 11 2011 - 05:43:11 PST)
Re: [AMBER] Need GDP parameters for ff03
neeru sharma
(Sun Dec 11 2011 - 05:47:21 PST)
Re: [AMBER] Need GDP parameters for ff03
Jason Swails
(Sun Dec 11 2011 - 06:39:27 PST)
Re: [AMBER] Need GDP parameters for ff03
neeru sharma
(Sun Dec 11 2011 - 08:39:50 PST)
Re: [AMBER] Need GDP parameters for ff03
FyD
(Sun Dec 11 2011 - 11:24:24 PST)
Re: [AMBER] Need GDP parameters for ff03
neeru sharma
(Sun Dec 11 2011 - 19:37:32 PST)
Re: [AMBER] Need GDP parameters for ff03
FyD
(Mon Dec 12 2011 - 01:58:52 PST)
Re: [AMBER] Need GDP parameters for ff03
neeru sharma
(Mon Dec 12 2011 - 02:14:59 PST)
[AMBER] Force field
Siti Mohamad
(Sun Dec 11 2011 - 22:57:51 PST)
Re: [AMBER] Force field
Aron Broom
(Sun Dec 11 2011 - 23:23:07 PST)
[AMBER] how many cores should be used in MMPBSA.py.MPI calculations at most
Qinghua Liao
(Mon Dec 12 2011 - 01:31:26 PST)
Re: [AMBER] how many cores should be used in MMPBSA.py.MPI calculations at most
Bill Miller III
(Mon Dec 12 2011 - 04:36:03 PST)
Re: [AMBER] how many cores should be used in MMPBSA.py.MPI calculations at most
Qinghua Liao
(Mon Dec 12 2011 - 04:42:06 PST)
[AMBER] MD stopped for unknown reason in the TI soft core potential run with solvateCap solvation option
Ying-Chieh Sun
(Mon Dec 12 2011 - 02:13:13 PST)
[AMBER] Units/Typos in MDL file format
Daniel Sindhikara
(Mon Dec 12 2011 - 03:49:53 PST)
Re: [AMBER] Units/Typos in MDL file format
Tyler Luchko
(Tue Dec 13 2011 - 14:23:40 PST)
[AMBER] gaff+charmm36 in amber vs namd
Jio M
(Mon Dec 12 2011 - 04:07:26 PST)
[AMBER] parameters in mm/pbsa calculations using python and perl versions
Qinghua Liao
(Mon Dec 12 2011 - 06:00:14 PST)
Re: [AMBER] parameters in mm/pbsa calculations using python and perl versions
Jason Swails
(Mon Dec 12 2011 - 13:21:54 PST)
Re: [AMBER] parameters in mm/pbsa calculations using python and perl versions
Qinghua Liao
(Mon Dec 12 2011 - 23:43:26 PST)
[AMBER] CUDA PMEMD on Longhorn: MPI_Win_free fatal error
Ben Roberts
(Mon Dec 12 2011 - 10:00:36 PST)
Re: [AMBER] CUDA PMEMD on Longhorn: MPI_Win_free fatal error
Scott Le Grand
(Mon Dec 12 2011 - 10:25:09 PST)
Re: [AMBER] CUDA PMEMD on Longhorn: MPI_Win_free fatal error
Ross Walker
(Mon Dec 12 2011 - 10:51:03 PST)
Re: [AMBER] CUDA PMEMD on Longhorn: MPI_Win_free fatal error
Ben Roberts
(Mon Dec 12 2011 - 13:19:14 PST)
Re: [AMBER] CUDA PMEMD on Longhorn: MPI_Win_free fatal error
Ben Roberts
(Fri Dec 30 2011 - 16:08:40 PST)
Re: [AMBER] CUDA PMEMD on Longhorn: MPI_Win_free fatal error
Ben Roberts
(Fri Dec 30 2011 - 16:14:02 PST)
Re: [AMBER] CUDA PMEMD on Longhorn: MPI_Win_free fatal error
Ross Walker
(Fri Dec 30 2011 - 17:01:50 PST)
Re: [AMBER] CUDA PMEMD on Longhorn: MPI_Win_free fatal error
Ben Roberts
(Fri Dec 30 2011 - 17:16:10 PST)
[AMBER] 2D RMS
David Condon
(Mon Dec 12 2011 - 15:52:57 PST)
Re: [AMBER] 2D RMS
Thomas Cheatham III
(Mon Dec 12 2011 - 16:23:05 PST)
Re: [AMBER] 2D RMS
Ilyas Yildirim
(Mon Dec 12 2011 - 16:35:10 PST)
Re: [AMBER] 2D RMS
David Condon
(Tue Dec 13 2011 - 07:47:49 PST)
[AMBER] removing few side waters (thin layer) in membranes
Jio M
(Tue Dec 13 2011 - 03:58:22 PST)
[AMBER] vlimit exceeded issue
Xiaozhou Li
(Tue Dec 13 2011 - 06:23:31 PST)
Re: [AMBER] vlimit exceeded issue
Brian Radak
(Tue Dec 13 2011 - 07:04:20 PST)
Re: [AMBER] vlimit exceeded issue
Xiaozhou Li
(Tue Dec 13 2011 - 07:41:06 PST)
Re: [AMBER] vlimit exceeded issue
Ismail, Mohd F.
(Tue Dec 13 2011 - 07:53:33 PST)
Re: [AMBER] vlimit exceeded issue
Aron Broom
(Tue Dec 13 2011 - 07:56:35 PST)
Re: [AMBER] vlimit exceeded issue
Xiaozhou Li
(Tue Dec 13 2011 - 08:43:14 PST)
Re: [AMBER] vlimit exceeded issue
Aron Broom
(Tue Dec 13 2011 - 09:13:39 PST)
Re: [AMBER] vlimit exceeded issue
Xiaozhou Li
(Fri Dec 16 2011 - 02:46:22 PST)
Re: [AMBER] vlimit exceeded issue
David A Case
(Tue Dec 13 2011 - 08:32:17 PST)
Re: [AMBER] Meeting Request from BSM (Agenda: Risk Free & Cost Effective IT Solutions & Staff Augmentation)
Justin L. Elliott | BSM
(Tue Dec 13 2011 - 08:51:52 PST)
[AMBER] The charge is wrong when the ligand together with the large model in MCPB
JiYuan Liu
(Mon Dec 12 2011 - 22:51:12 PST)
Re: [AMBER] The charge is wrong when the ligand together with the large model in MCPB
Ben Roberts
(Wed Dec 14 2011 - 12:48:38 PST)
[AMBER] Generation of .mol2 file
Chidambar Kulkarni
(Wed Dec 14 2011 - 10:13:18 PST)
Re: [AMBER] Generation of .mol2 file
David A Case
(Wed Dec 14 2011 - 11:13:15 PST)
Re: [AMBER] Generation of .mol2 file
Chidambar Kulkarni
(Wed Dec 14 2011 - 11:34:27 PST)
[AMBER] problems of simulation using pmemd
Qinghua Liao
(Wed Dec 14 2011 - 13:31:48 PST)
Re: [AMBER] problems of simulation using pmemd
Jason Swails
(Wed Dec 14 2011 - 13:55:42 PST)
Re: [AMBER] problems of simulation using pmemd
Qinghua Liao
(Thu Dec 15 2011 - 00:16:24 PST)
[AMBER] AMBER GPU jobs
Neha Gandhi
(Wed Dec 14 2011 - 18:59:17 PST)
Re: [AMBER] AMBER GPU jobs
Ross Walker
(Wed Dec 14 2011 - 21:37:54 PST)
[AMBER] TI + solvateCap work in Amber11?
Ying-Chieh Sun
(Wed Dec 14 2011 - 20:42:45 PST)
[AMBER] MMPBSA.py
Rajesh Singh
(Wed Dec 14 2011 - 22:42:04 PST)
[AMBER] : Error in MMPBSA
Rajesh Singh
(Wed Dec 14 2011 - 23:00:08 PST)
Re: [AMBER] : Error in MMPBSA
Jason Swails
(Thu Dec 15 2011 - 04:44:44 PST)
[AMBER] Regarding low %CPU efficiency while running production MD
abinayar.imsc.res.in
(Thu Dec 15 2011 - 03:57:42 PST)
Re: [AMBER] Regarding low %CPU efficiency while running production MD
Jason Swails
(Thu Dec 15 2011 - 04:32:24 PST)
Re: [AMBER] Regarding low %CPU efficiency while running production MD
abinayar.imsc.res.in
(Thu Dec 15 2011 - 04:57:09 PST)
Re: [AMBER] Regarding low %CPU efficiency while running production MD
Jason Swails
(Thu Dec 15 2011 - 06:32:32 PST)
Re: [AMBER] Regarding low %CPU efficiency while running production MD
abinayar.imsc.res.in
(Thu Dec 15 2011 - 20:40:23 PST)
Re: [AMBER] Regarding low %CPU efficiency while running production MD
abinayar.imsc.res.in
(Sat Dec 17 2011 - 02:13:37 PST)
Re: [AMBER] Regarding low %CPU efficiency while running production MD
case
(Sat Dec 17 2011 - 07:15:18 PST)
[AMBER] MTK++ and MCPB patch released
Ben Roberts
(Thu Dec 15 2011 - 07:08:33 PST)
Re: [AMBER] MTK++ and MCPB patch released
JiYuan Liu
(Mon Dec 19 2011 - 18:37:27 PST)
Re: [AMBER] MTK++ and MCPB patch released
Martin Peters
(Tue Dec 20 2011 - 01:08:16 PST)
Re: [AMBER] MTK++ and MCPB patch released
JiYuan Liu
(Tue Dec 20 2011 - 05:04:37 PST)
Re: [AMBER] MTK++ and MCPB patch released
Martin Peters
(Tue Dec 20 2011 - 05:31:27 PST)
Re: [AMBER] MTK++ and MCPB patch released
JiYuan Liu
(Tue Dec 20 2011 - 18:24:32 PST)
Re: [AMBER] MTK++ and MCPB patch released
Martin Peters
(Thu Dec 22 2011 - 02:38:06 PST)
Re: [AMBER] MTK++ and MCPB patch released
JiYuan Liu
(Thu Dec 22 2011 - 04:41:45 PST)
Re: [AMBER] MTK++ and MCPB patch released
Martin Peters
(Thu Dec 22 2011 - 05:08:19 PST)
Re: [AMBER] MTK++ and MCPB patch released
JiYuan Liu
(Thu Dec 22 2011 - 06:06:19 PST)
Re: [AMBER] MTK++ and MCPB patch released
Martin Peters
(Thu Dec 22 2011 - 07:54:20 PST)
Re: [AMBER] MTK++ and MCPB patch released
JiYuan Liu
(Sat Dec 24 2011 - 02:58:03 PST)
Re: [AMBER] MTK++ and MCPB patch released
Ben Roberts
(Sat Dec 24 2011 - 08:20:23 PST)
Re: [AMBER] MTK++ and MCPB patch released
JiYuan Liu
(Tue Dec 27 2011 - 20:35:15 PST)
[AMBER] problems of mm/pbsa calculations
Qinghua Liao
(Thu Dec 15 2011 - 08:21:02 PST)
Re: [AMBER] problems of mm/pbsa calculations
Jason Swails
(Thu Dec 15 2011 - 10:50:53 PST)
Re: [AMBER] problems of mm/pbsa calculations
Qinghua Liao
(Thu Dec 15 2011 - 12:44:02 PST)
Re: [AMBER] problems of mm/pbsa calculations
Jason Swails
(Thu Dec 15 2011 - 13:30:22 PST)
Re: [AMBER] problems of mm/pbsa calculations
Qinghua Liao
(Thu Dec 15 2011 - 22:56:14 PST)
Re: [AMBER] problems of mm/pbsa calculations
Jason Swails
(Fri Dec 16 2011 - 05:57:52 PST)
[AMBER] What's the combine rules for OPLS force field in AMBER?
Guoxiong Su
(Thu Dec 15 2011 - 09:08:09 PST)
Re: [AMBER] What's the combine rules for OPLS force field in AMBER?
Bill Ross
(Thu Dec 15 2011 - 13:48:27 PST)
Re: [AMBER] What's the combine rules for OPLS force field in AMBER?
Guoxiong Su
(Thu Dec 15 2011 - 14:13:49 PST)
Re: [AMBER] What's the combine rules for OPLS force field in AMBER?
Bill Ross
(Thu Dec 15 2011 - 17:55:08 PST)
Re: [AMBER] What's the combine rules for OPLS force field in AMBER?
case
(Thu Dec 15 2011 - 19:43:02 PST)
[AMBER] MMPBSA tutorial question
Dario Mizraji
(Thu Dec 15 2011 - 23:14:28 PST)
[AMBER] sourcing solvents.cmd quits xleap/tleap
Jio M
(Thu Dec 15 2011 - 23:24:59 PST)
Re: [AMBER] sourcing solvents.cmd quits xleap/tleap
case
(Fri Dec 16 2011 - 05:07:35 PST)
Re: [AMBER] sourcing solvents.cmd quits xleap/tleap
Jio M
(Fri Dec 16 2011 - 05:28:19 PST)
[AMBER] segmentation fault using GPUs
Ouaray Z.
(Fri Dec 16 2011 - 03:38:36 PST)
Re: [AMBER] segmentation fault using GPUs
Marc van der Kamp
(Fri Dec 16 2011 - 04:10:22 PST)
[AMBER] Measuring the distance in Amber 11
Esam Tolba
(Fri Dec 16 2011 - 05:43:14 PST)
Re: [AMBER] Measuring the distance in Amber 11
Daniel Roe
(Fri Dec 16 2011 - 06:52:49 PST)
Re: [AMBER] Measuring the distance in Amber 11
Esam Tolba
(Fri Dec 16 2011 - 07:41:07 PST)
[AMBER] Change center of water box
Ngo Son Tung
(Fri Dec 16 2011 - 07:11:32 PST)
[AMBER] Sander.MPI speed vs cpu x node
Changwoo Do
(Fri Dec 16 2011 - 08:58:23 PST)
Re: [AMBER] Sander.MPI speed vs cpu x node
Aron Broom
(Fri Dec 16 2011 - 09:08:05 PST)
Re: [AMBER] Sander.MPI speed vs cpu x node
Andrew Petersen
(Fri Dec 16 2011 - 09:28:42 PST)
Re: [AMBER] Sander.MPI speed vs cpu x node
Jason Swails
(Fri Dec 16 2011 - 09:48:31 PST)
Re: [AMBER] Sander.MPI speed vs cpu x node
Changwoo Do
(Fri Dec 16 2011 - 12:31:26 PST)
[AMBER] Non-standard Serine Residue
Chris Bryant
(Fri Dec 16 2011 - 12:59:45 PST)
Re: [AMBER] Non-standard Serine Residue
case
(Fri Dec 16 2011 - 18:22:00 PST)
Re: [AMBER] Non-standard Serine Residue
Chris Bryant
(Sat Dec 17 2011 - 07:48:20 PST)
Re: [AMBER] Non-standard Serine Residue
FyD
(Sun Dec 18 2011 - 06:53:45 PST)
[AMBER] big difference of binding energy generated by python and perl mm/pbsa respectively
Qinghua Liao
(Fri Dec 16 2011 - 14:21:02 PST)
Re: [AMBER] big difference of binding energy generated by python and perl mm/pbsa respectively
Ngo Son Tung
(Fri Dec 16 2011 - 15:09:47 PST)
Re: [AMBER] big difference of binding energy generated by python and perl mm/pbsa respectively
Qinghua Liao
(Sat Dec 17 2011 - 14:43:36 PST)
Re: [AMBER] big difference of binding energy generated by python and perl mm/pbsa respectively
Jason Swails
(Sat Dec 17 2011 - 15:32:17 PST)
Re: [AMBER] big difference of binding energy generated by python and perl mm/pbsa respectively
Qinghua Liao
(Tue Dec 20 2011 - 01:49:33 PST)
[AMBER] how to build Polyethylene terephthalate (PET) surface?
Albert
(Fri Dec 16 2011 - 16:47:49 PST)
[AMBER] Strange keyword generated by antechamber to cause fail when use mopac
Crystal.CHIA-YU Ku
(Fri Dec 16 2011 - 16:59:37 PST)
Re: [AMBER] Strange keyword generated by antechamber to cause fail when use mopac
case
(Fri Dec 16 2011 - 18:26:00 PST)
Re: [AMBER] Strange keyword generated by antechamber to cause fail when use mopac
Crystal.CHIA-YU Ku
(Thu Dec 22 2011 - 14:32:19 PST)
[AMBER] MMTSB
fatahiya
(Sat Dec 17 2011 - 01:09:41 PST)
Re: [AMBER] MMTSB
case
(Sat Dec 17 2011 - 07:04:44 PST)
[AMBER] installation problem of amber9 in ubuntu 10.04
Madhurima Jana
(Sat Dec 17 2011 - 02:09:42 PST)
Re: [AMBER] installation problem of amber9 in ubuntu 10.04
case
(Sat Dec 17 2011 - 07:10:25 PST)
[AMBER] Amber 11 error
Esam Tolba
(Sat Dec 17 2011 - 11:16:54 PST)
Re: [AMBER] Amber 11 error
Bill Ross
(Sat Dec 17 2011 - 11:45:03 PST)
Re: [AMBER] Amber 11 error
Esam Tolba
(Sat Dec 17 2011 - 13:35:52 PST)
[AMBER] RMSD value
Esam Tolba
(Sat Dec 17 2011 - 13:40:50 PST)
Re: [AMBER] RMSD value
Daniel Roe
(Sun Dec 18 2011 - 06:27:03 PST)
Re: [AMBER] RMSD value
Esam Tolba
(Sun Dec 18 2011 - 08:42:40 PST)
Re: [AMBER] RMSD value
Jason Swails
(Mon Dec 19 2011 - 07:29:52 PST)
[AMBER] error in measuring distances in amber 11
Esam Tolba
(Sun Dec 18 2011 - 08:46:09 PST)
Re: [AMBER] error in measuring distances in amber 11
Jason Swails
(Mon Dec 19 2011 - 07:34:28 PST)
Re: [AMBER] error in measuring distances in amber 11
Thomas Cheatham
(Mon Dec 19 2011 - 08:16:37 PST)
[AMBER] RMDS vs. time problem
vaibhav dixit
(Sun Dec 18 2011 - 23:07:35 PST)
Re: [AMBER] RMDS vs. time problem
Sangita Kachhap
(Mon Dec 19 2011 - 03:42:31 PST)
Re: [AMBER] RMDS vs. time problem
vaibhav dixit
(Mon Dec 19 2011 - 05:19:48 PST)
[AMBER] Phosphotyrosine connectivity problem
Sangeetha B
(Mon Dec 19 2011 - 00:41:42 PST)
Re: [AMBER] Phosphotyrosine connectivity problem
Soumya Lipsa Rath
(Mon Dec 19 2011 - 01:01:22 PST)
Re: [AMBER] Phosphotyrosine connectivity problem
Sangeetha B
(Mon Dec 19 2011 - 01:19:22 PST)
Re: [AMBER] Phosphotyrosine connectivity problem
Soumya Lipsa Rath
(Mon Dec 19 2011 - 01:48:18 PST)
Re: [AMBER] Phosphotyrosine connectivity problem
Sangeetha B
(Mon Dec 19 2011 - 03:48:51 PST)
Re: [AMBER] Phosphotyrosine connectivity problem
Marc van der Kamp
(Mon Dec 19 2011 - 01:48:42 PST)
Re: [AMBER] Phosphotyrosine connectivity problem
David A Case
(Mon Dec 19 2011 - 05:14:24 PST)
Re: [AMBER] Phosphotyrosine connectivity problem
Sangeetha B
(Mon Dec 19 2011 - 19:37:03 PST)
[AMBER] problem in writing pdb with ambpdb
Jio M
(Mon Dec 19 2011 - 02:38:53 PST)
Re: [AMBER] problem in writing pdb with ambpdb
Marc van der Kamp
(Mon Dec 19 2011 - 02:52:52 PST)
Re: [AMBER] problem in writing pdb with ambpdb
Jio M
(Mon Dec 19 2011 - 03:18:09 PST)
[AMBER] R: problem in writing pdb with ambpdb
Giovanni Pavan
(Mon Dec 19 2011 - 03:26:44 PST)
Re: [AMBER] problem in writing pdb with ambpdb
Astrid Maaß
(Mon Dec 19 2011 - 04:14:55 PST)
Re: [AMBER] problem in writing pdb with ambpdb
Jio M
(Mon Dec 19 2011 - 04:55:36 PST)
Re: [AMBER] problem in writing pdb with ambpdb
David A Case
(Mon Dec 19 2011 - 05:20:38 PST)
Re: [AMBER] problem in writing pdb with ambpdb
Jio M
(Mon Dec 19 2011 - 07:50:06 PST)
[AMBER] dihedral analysis
Shirin Jamshidi
(Mon Dec 19 2011 - 09:05:55 PST)
[AMBER] water in enzyme active site
Shirin Jamshidi
(Mon Dec 19 2011 - 09:10:24 PST)
[AMBER] Prepping PDB files for amber
Jeffrey Thalhammer
(Mon Dec 19 2011 - 13:16:47 PST)
Re: [AMBER] Prepping PDB files for amber
Lachele Foley (Lists)
(Mon Dec 19 2011 - 13:39:10 PST)
Re: [AMBER] Prepping PDB files for amber
Jeffrey Thalhammer
(Mon Dec 19 2011 - 14:22:25 PST)
Re: [AMBER] Prepping PDB files for amber
Lachele Foley (Lists)
(Mon Dec 19 2011 - 14:34:47 PST)
Re: [AMBER] Prepping PDB files for amber
Jan-Philip Gehrcke
(Mon Dec 19 2011 - 15:18:51 PST)
Re: [AMBER] Prepping PDB files for amber
Thomas Gaillard
(Mon Dec 19 2011 - 16:56:34 PST)
Re: [AMBER] Prepping PDB files for amber
Jan-Philip Gehrcke
(Mon Dec 19 2011 - 23:58:07 PST)
Re: [AMBER] Prepping PDB files for amber
Lachele Foley (Lists)
(Tue Dec 20 2011 - 12:45:13 PST)
Re: [AMBER] Prepping PDB files for amber
Jason Swails
(Mon Dec 19 2011 - 16:26:36 PST)
Re: [AMBER] Prepping PDB files for amber
Jeffrey Thalhammer
(Mon Dec 19 2011 - 22:15:00 PST)
Re: [AMBER] Prepping PDB files for amber
Bill Ross
(Mon Dec 19 2011 - 17:04:49 PST)
Re: [AMBER] Prepping PDB files for amber
David A Case
(Tue Dec 20 2011 - 12:33:57 PST)
[AMBER] pmemd.cuda: bugfix.20 failed HUNKs
Marc van der Kamp
(Tue Dec 20 2011 - 01:09:08 PST)
Re: [AMBER] pmemd.cuda: bugfix.20 failed HUNKs
Marc van der Kamp
(Tue Dec 20 2011 - 01:53:49 PST)
Re: [AMBER] problem in writing pdb with ambpdb:test case attached
David A Case
(Tue Dec 20 2011 - 05:50:41 PST)
[AMBER] How many nodes to be used is best for AMBER parallel calculation?
Catein Catherine
(Tue Dec 20 2011 - 06:54:52 PST)
Re: [AMBER] How many nodes to be used is best for AMBER parallel calculation?
Jason Swails
(Tue Dec 20 2011 - 12:35:10 PST)
Re: [AMBER] How many nodes to be used is best for AMBER parallel calculation?
Ilyas Yildirim
(Tue Dec 20 2011 - 12:55:03 PST)
Re: [AMBER] problem in writing pdb with ambpdb:test case attached
Jio M
(Tue Dec 20 2011 - 07:31:52 PST)
Re: [AMBER] problem in writing pdb with ambpdb:test case attached
Jason Swails
(Tue Dec 20 2011 - 21:07:02 PST)
[AMBER] : Membrane Dynamics
Rajesh Singh
(Tue Dec 20 2011 - 07:56:31 PST)
[AMBER] leap mis-specified improper dihedral
Dean Cuebas
(Tue Dec 20 2011 - 10:23:02 PST)
Re: [AMBER] leap mis-specified improper dihedral
David A Case
(Tue Dec 20 2011 - 12:18:17 PST)
Re: [AMBER] leap mis-specified improper dihedral
Bill Ross
(Tue Dec 20 2011 - 16:15:31 PST)
Re: [AMBER] leap mis-specified improper dihedral
FyD
(Tue Dec 20 2011 - 23:22:44 PST)
Re: [AMBER] leap mis-specified improper dihedral
Dean Cuebas
(Tue Dec 20 2011 - 22:34:23 PST)
Re: [AMBER] : Membrane Dynamics
Albert
(Tue Dec 20 2011 - 15:54:49 PST)
Re: [AMBER] : Membrane Dynamics
Carlos Simmerling
(Tue Dec 20 2011 - 16:03:20 PST)
Re: [AMBER] : Membrane Dynamics
Aron Broom
(Tue Dec 20 2011 - 16:07:25 PST)
Re: [AMBER] : Membrane Dynamics
Albert
(Tue Dec 20 2011 - 16:29:24 PST)
Re: [AMBER] : Membrane Dynamics
Vlad Cojocaru
(Tue Dec 20 2011 - 22:37:27 PST)
Re: [AMBER] : Membrane Dynamics
Albert
(Tue Dec 20 2011 - 23:41:48 PST)
Re: [AMBER] : Membrane Dynamics
Albert
(Tue Dec 20 2011 - 16:21:29 PST)
Re: [AMBER] : Membrane Dynamics
Jason Swails
(Tue Dec 20 2011 - 20:22:51 PST)
[AMBER] studying the pH-dependent stability of a "large" homodimeric protein
Jan-Philip Gehrcke
(Tue Dec 20 2011 - 08:15:55 PST)
Re: [AMBER] studying the pH-dependent stability of a "large" homodimeric protein
Adrian Roitberg
(Tue Dec 20 2011 - 10:18:27 PST)
Re: [AMBER] studying the pH-dependent stability of a "large" homodimeric protein
Kshatresh Dutta Dubey
(Tue Dec 20 2011 - 17:19:34 PST)
Re: [AMBER] studying the pH-dependent stability of a "large" homodimeric protein
Jason Swails
(Tue Dec 20 2011 - 21:03:40 PST)
[AMBER] antechamber for boron
DEBOSTUTI GHOSHDASTIDAR
(Tue Dec 20 2011 - 09:36:46 PST)
[AMBER] ptraj: Hbonds
George Tzotzos
(Tue Dec 20 2011 - 09:38:10 PST)
[AMBER] About interaction energy over time
Mo Chen
(Tue Dec 20 2011 - 13:44:18 PST)
Re: [AMBER] About interaction energy over time
steinbrt.rci.rutgers.edu
(Wed Dec 21 2011 - 01:12:29 PST)
[AMBER] mtkpp: parameters in metals.frcmod
Patrick G Blachly
(Tue Dec 20 2011 - 20:59:39 PST)
Re: [AMBER] mtkpp: parameters in metals.frcmod
Ben Roberts
(Wed Dec 21 2011 - 08:03:11 PST)
Re: [AMBER] mtkpp: parameters in metals.frcmod
Patrick G Blachly
(Wed Dec 21 2011 - 20:45:46 PST)
Re: [AMBER] mtkpp: parameters in metals.frcmod
ros
(Thu Dec 22 2011 - 07:19:25 PST)
Re: [AMBER] mtkpp: parameters in metals.frcmod
Ben Roberts
(Thu Dec 22 2011 - 07:24:06 PST)
Re: [AMBER] mtkpp: parameters in metals.frcmod
Martin Peters
(Thu Dec 22 2011 - 07:34:59 PST)
[AMBER] Amber:SANDER BOMB:volume of ucell too big, too many subcells
shradhey gupta
(Tue Dec 20 2011 - 22:10:17 PST)
Re: [AMBER] Amber:SANDER BOMB:volume of ucell too big, too many subcells
David A Case
(Wed Dec 21 2011 - 05:33:04 PST)
[AMBER] Amber:SANDER BOMB:volume of ucell too big, too many subcells
shradhey gupta
(Tue Dec 20 2011 - 22:23:59 PST)
[AMBER] High Molarity solutions
Hemant Gangwar
(Wed Dec 21 2011 - 01:58:28 PST)
[AMBER] Eptot is positive
Junjian Miao
(Wed Dec 21 2011 - 18:31:54 PST)
Re: [AMBER] Eptot is positive
steinbrt.rci.rutgers.edu
(Thu Dec 22 2011 - 00:11:51 PST)
Re: [AMBER] Eptot is positive
Junjian Miao
(Thu Dec 22 2011 - 23:17:41 PST)
[AMBER] AMBER parameters for caffeine molecule
Bhanita Sharma
(Wed Dec 21 2011 - 21:26:58 PST)
Re: [AMBER] AMBER parameters for caffeine molecule
Ashutosh Shandilya
(Wed Dec 21 2011 - 21:37:08 PST)
Re: [AMBER] AMBER parameters for caffeine molecule
arikcohen
(Wed Dec 21 2011 - 22:58:47 PST)
Re: [AMBER] AMBER parameters for caffeine molecule
FyD
(Thu Dec 22 2011 - 23:39:24 PST)
[AMBER] problems of results of decomposition
Qinghua Liao
(Thu Dec 22 2011 - 02:16:02 PST)
[AMBER] Restart file for pmemd not showing all information
Sasha Perkins
(Thu Dec 22 2011 - 08:48:17 PST)
Re: [AMBER] Restart file for pmemd not showing all information
Ross Walker
(Thu Dec 22 2011 - 09:10:24 PST)
Re: [AMBER] Restart file for pmemd not showing all information
Sasha Perkins
(Thu Dec 22 2011 - 13:54:55 PST)
Re: [AMBER] Restart file for pmemd not showing all information
Dean Cuebas
(Sat Dec 24 2011 - 13:02:15 PST)
Re: [AMBER] Restart file for pmemd not showing all information
Duke, Robert E Jr
(Sat Dec 24 2011 - 13:11:29 PST)
Re: [AMBER] Restart file for pmemd not showing all information
Bill Ross
(Sat Dec 24 2011 - 13:26:25 PST)
Re: [AMBER] Restart file for pmemd not showing all information
Duke, Robert E Jr
(Sat Dec 24 2011 - 14:29:41 PST)
Re: [AMBER] Restart file for pmemd not showing all information
filip fratev
(Sun Dec 25 2011 - 03:30:29 PST)
Re: [AMBER] Restart file for pmemd not showing all information
Duke, Robert E Jr
(Sun Dec 25 2011 - 11:03:33 PST)
Re: [AMBER] Restart file for pmemd not showing all information
filip fratev
(Sun Dec 25 2011 - 12:46:15 PST)
Re: [AMBER] Restart file for pmemd not showing all information
Duke, Robert E Jr
(Sun Dec 25 2011 - 12:52:05 PST)
Re: [AMBER] Restart file for pmemd not showing all information
filip fratev
(Sun Dec 25 2011 - 13:48:51 PST)
Re: [AMBER] Restart file for pmemd not showing all information
Duke, Robert E Jr
(Sun Dec 25 2011 - 14:30:19 PST)
Re: [AMBER] Restart file for pmemd not showing all information
Dean Cuebas
(Tue Dec 27 2011 - 12:29:01 PST)
Re: [AMBER] Restart file for pmemd not showing all information
Duke, Robert E Jr
(Tue Dec 27 2011 - 18:25:34 PST)
Re: [AMBER] carborane_and_icosohedral_boron
Raman Parkesh
(Thu Dec 22 2011 - 08:50:12 PST)
[AMBER] problem with charge on iron in heme cysteine system
pancham lal gupta
(Thu Dec 22 2011 - 23:57:26 PST)
Re: [AMBER] problem with charge on iron in heme cysteine system
case
(Fri Dec 23 2011 - 06:50:51 PST)
[AMBER] PMEMD installation error
hari krishna
(Fri Dec 23 2011 - 04:41:16 PST)
Re: [AMBER] PMEMD installation error
Jason Swails
(Fri Dec 23 2011 - 06:46:09 PST)
Re: [AMBER] PMEMD installation error
case
(Fri Dec 23 2011 - 07:00:33 PST)
[AMBER] cpptraj -- doesn't like reading Amber restart files with more than 99, 999 atoms
Ben Roberts
(Fri Dec 23 2011 - 08:25:29 PST)
Re: [AMBER] cpptraj -- doesn't like reading Amber restart files with more than 99, 999 atoms
Daniel Roe
(Fri Dec 23 2011 - 08:42:43 PST)
Re: [AMBER] cpptraj -- doesn't like reading Amber restart files with more than 99, 999 atoms
Daniel Roe
(Fri Dec 23 2011 - 09:46:15 PST)
Re: [AMBER] cpptraj -- doesn't like reading Amber restart files with more than 99, 999 atoms
Ben Roberts
(Fri Dec 23 2011 - 10:21:01 PST)
[AMBER] Bad atom type error in MMPBSA
hari krishna
(Sat Dec 24 2011 - 04:03:48 PST)
Re: [AMBER] Bad atom type error in MMPBSA
Jason Swails
(Sat Dec 24 2011 - 06:19:01 PST)
[AMBER] Create a parameters and topology files!
john Kerk
(Sun Dec 25 2011 - 00:35:57 PST)
Re: [AMBER] Create a parameters and topology files!
Ben Roberts
(Mon Dec 26 2011 - 06:25:37 PST)
[AMBER] Fw: Restart file for pmemd not showing all information
filip fratev
(Sun Dec 25 2011 - 13:47:21 PST)
[AMBER] Error in output file
Aditya Padhi
(Sun Dec 25 2011 - 23:02:38 PST)
Re: [AMBER] Error in output file
Jason Swails
(Mon Dec 26 2011 - 19:52:41 PST)
[AMBER] simulation replication
kanika singal
(Mon Dec 26 2011 - 02:38:08 PST)
Re: [AMBER] simulation replication
Carlos Simmerling
(Mon Dec 26 2011 - 04:32:10 PST)
[AMBER] Fwd: WARNING in ptraj(): No input trajectories specified (trajin), aborting...
rosy stone
(Mon Dec 26 2011 - 21:52:17 PST)
Re: [AMBER] Fwd: WARNING in ptraj(): No input trajectories specified (trajin), aborting...
DEBOSTUTI GHOSHDASTIDAR
(Mon Dec 26 2011 - 22:12:09 PST)
[AMBER] Fwd: Fwd: WARNING in ptraj(): No input trajectories specified (trajin), aborting...
rosy stone
(Tue Dec 27 2011 - 02:03:39 PST)
Re: [AMBER] Fwd: Fwd: WARNING in ptraj(): No input trajectories specified (trajin), aborting...
case
(Tue Dec 27 2011 - 05:42:38 PST)
[AMBER] Fwd: Fwd: Fwd: WARNING in ptraj(): No input trajectories specified (trajin), aborting...
rosy stone
(Tue Dec 27 2011 - 21:06:20 PST)
Re: [AMBER] Fwd: Fwd: Fwd: WARNING in ptraj(): No input trajectories specified (trajin), aborting...
case
(Wed Dec 28 2011 - 06:29:48 PST)
[AMBER] Fwd: Fwd: Fwd: Fwd: WARNING in ptraj(): No input trajectories specified (trajin), aborting...
rosy stone
(Wed Dec 28 2011 - 22:27:51 PST)
Re: [AMBER] Fwd: Fwd: Fwd: Fwd: WARNING in ptraj(): No input trajectories specified (trajin), aborting...
David A Case
(Thu Dec 29 2011 - 07:32:51 PST)
Re: [AMBER] Fwd: Fwd: Fwd: Fwd: WARNING in ptraj(): No input trajectories specified (trajin), aborting...
Daniel Roe
(Thu Dec 29 2011 - 07:49:24 PST)
[AMBER] installation error in AmberTools1.5
Asmita Gupta
(Tue Dec 27 2011 - 03:13:40 PST)
Re: [AMBER] installation error in AmberTools1.5
Jason Swails
(Tue Dec 27 2011 - 05:07:04 PST)
Re: [AMBER] installation error in AmberTools1.5
Asmita Gupta
(Tue Dec 27 2011 - 08:38:38 PST)
Re: [AMBER] installation error in AmberTools1.5
Jason Swails
(Tue Dec 27 2011 - 17:34:51 PST)
[AMBER] SMD multiple restraints problem?
Hu Ge
(Tue Dec 27 2011 - 06:34:29 PST)
[AMBER] Entropy: quasi harmonic vs NMode - Weird results
George Tzotzos
(Tue Dec 27 2011 - 07:57:39 PST)
Re: [AMBER] Entropy: quasi harmonic vs NMode - Weird results
Jason Swails
(Tue Dec 27 2011 - 09:18:24 PST)
[AMBER] PMEMD parallelization on Ubuntu Lucid
David Condon
(Tue Dec 27 2011 - 09:20:26 PST)
Re: [AMBER] PMEMD parallelization on Ubuntu Lucid
Jason Swails
(Tue Dec 27 2011 - 15:00:18 PST)
Re: [AMBER] PMEMD parallelization on Ubuntu Lucid
David Condon
(Tue Dec 27 2011 - 15:42:41 PST)
Re: [AMBER] PMEMD parallelization on Ubuntu Lucid
Jason Swails
(Tue Dec 27 2011 - 17:29:17 PST)
[AMBER] nonbond parameters for copper
gaoya
(Tue Dec 27 2011 - 21:21:11 PST)
Re: [AMBER] nonbond parameters for copper
ros
(Tue Dec 27 2011 - 21:34:41 PST)
Re: [AMBER] nonbond parameters for copper
gaoya
(Tue Dec 27 2011 - 21:40:24 PST)
Re: [AMBER] nonbond parameters for copper
ros
(Tue Dec 27 2011 - 21:55:04 PST)
Re: [AMBER] nonbond parameters for copper
gaoya
(Tue Dec 27 2011 - 22:00:03 PST)
[AMBER] chamber - Fortran runtime error
colvin
(Tue Dec 27 2011 - 23:27:19 PST)
[AMBER] ambertools 1.5
subrata paul
(Wed Dec 28 2011 - 01:18:38 PST)
Re: [AMBER] ambertools 1.5
Reza Aditama
(Wed Dec 28 2011 - 02:46:35 PST)
Re: [AMBER] ambertools 1.5
subrata paul
(Wed Dec 28 2011 - 22:48:54 PST)
Re: [AMBER] ambertools 1.5
Jason Swails
(Thu Dec 29 2011 - 07:19:09 PST)
Re: [AMBER] ambertools 1.5
case
(Wed Dec 28 2011 - 06:36:54 PST)
[AMBER] Which method is the best way to solve metalloprotein?MCPB or Only consider Electrostatic and VDW
JiYuan Liu
(Wed Dec 28 2011 - 06:58:01 PST)
Re: [AMBER] Which method is the best way to solve metalloprotein?MCPB or Only consider Electrostatic and VDW
Jacopo Sgrignani
(Wed Dec 28 2011 - 08:25:54 PST)
Re: [AMBER] Which method is the best way to solve metalloprotein?MCPB or Only consider Electrostatic and VDW
JiYuan Liu
(Thu Dec 29 2011 - 05:22:54 PST)
Re: [AMBER] Which method is the best way to solve metalloprotein?MCPB or Only consider Electrostatic and VDW
Ben Roberts
(Thu Dec 29 2011 - 06:58:52 PST)
Re: [AMBER] Which method is the best way to solve metalloprotein?MCPB or Only consider Electrostatic and VDW
JiYuan Liu
(Fri Dec 30 2011 - 05:03:09 PST)
Re: [AMBER] Which method is the best way to solve metalloprotein?MCPB or Only consider Electrostatic and VDW
Ben Roberts
(Fri Dec 30 2011 - 06:12:34 PST)
Re: [AMBER] Which method is the best way to solve metalloprotein?MCPB or Only consider Electrostatic and VDW
JiYuan Liu
(Fri Dec 30 2011 - 06:37:37 PST)
Re: [AMBER] Which method is the best way to solve metalloprotein?MCPB or Only consider Electrostatic and VDW
Ben Roberts
(Fri Dec 30 2011 - 06:57:36 PST)
Re: [AMBER] Which method is the best way to solve metalloprotein?MCPB or Only consider Electrostatic and VDW
JiYuan Liu
(Fri Dec 30 2011 - 07:12:08 PST)
Re: [AMBER] Which method is the best way to solve metalloprotein?MCPB or Only consider Electrostatic and VDW
Ben Roberts
(Fri Dec 30 2011 - 07:20:16 PST)
Re: [AMBER] Which method is the best way to solve metalloprotein?MCPB or Only consider Electrostatic and VDW
JiYuan Liu
(Fri Dec 30 2011 - 20:02:35 PST)
[AMBER] atomic radii for PBSA
Qiong Zhang
(Wed Dec 28 2011 - 08:58:49 PST)
[AMBER] Undefined reference netcdf in 'patched'/updated AmberTools 1.5/ pmemd.cuda compilation.
Danni L Harris
(Wed Dec 28 2011 - 14:26:42 PST)
Re: [AMBER] Undefined reference netcdf in 'patched'/updated AmberTools 1.5/ pmemd.cuda compilation.
Jason Swails
(Wed Dec 28 2011 - 16:42:25 PST)
[AMBER] resending -- chamber-fortran runtime error
colvin
(Wed Dec 28 2011 - 16:38:53 PST)
Re: [AMBER] resending -- chamber-fortran runtime error
Scott Brozell
(Wed Dec 28 2011 - 19:23:58 PST)
Re: [AMBER] resending -- chamber-fortran runtime error
case
(Wed Dec 28 2011 - 20:42:33 PST)
[AMBER] problem extracting AmberTools-1.5.tar.bz2 file
Puspita Halder
(Wed Dec 28 2011 - 21:49:15 PST)
Re: [AMBER] problem extracting AmberTools-1.5.tar.bz2 file
Jason Swails
(Thu Dec 29 2011 - 07:21:06 PST)
Re: [AMBER] problem extracting AmberTools-1.5.tar.bz2 file
David A Case
(Thu Dec 29 2011 - 07:29:12 PST)
[AMBER] error in crd file due to lack of disk space
Ashutosh Shandilya
(Wed Dec 28 2011 - 23:23:07 PST)
Re: [AMBER] error in crd file due to lack of disk space
David A Case
(Thu Dec 29 2011 - 07:36:11 PST)
[AMBER] Leap: addions
George Tzotzos
(Thu Dec 29 2011 - 02:27:37 PST)
Re: [AMBER] Leap: addions
Jason Swails
(Thu Dec 29 2011 - 07:25:59 PST)
Re: [AMBER] Leap: addions
George Tzotzos
(Thu Dec 29 2011 - 07:41:43 PST)
Re: [AMBER] Leap: addions
Jason Swails
(Thu Dec 29 2011 - 08:47:52 PST)
[AMBER] sander.rism3d
민병진
(Thu Dec 29 2011 - 04:00:45 PST)
Re: [AMBER] sander.rism3d
Jason Swails
(Thu Dec 29 2011 - 07:22:51 PST)
Re: [AMBER] sander.rism3d
David A Case
(Thu Dec 29 2011 - 07:43:58 PST)
Re: [AMBER] sander.rism3d
Tyler Luchko
(Thu Dec 29 2011 - 08:18:40 PST)
[AMBER] Chloroform in Amber, a rigid model?
Robert Woodwhite
(Thu Dec 29 2011 - 15:29:49 PST)
Re: [AMBER] Chloroform in Amber, a rigid model?
Jason Swails
(Thu Dec 29 2011 - 21:45:15 PST)
Re: [AMBER] Chloroform in Amber, a rigid model?
Robert Woodwhite
(Fri Dec 30 2011 - 09:43:39 PST)
Re: [AMBER] Chloroform in Amber, a rigid model?
case
(Fri Dec 30 2011 - 10:27:26 PST)
Re: [AMBER] Chloroform in Amber, a rigid model?
Robert Woodwhite
(Fri Dec 30 2011 - 11:19:16 PST)
[AMBER] free energy calculation: turn off the VDW interaction between ligand and protein
Bing Xiong
(Fri Dec 30 2011 - 16:42:17 PST)
Re: [AMBER] free energy calculation: turn off the VDW interaction between ligand and protein
case
(Fri Dec 30 2011 - 17:19:35 PST)
[AMBER] Solvate a system in AMBER 11.
Sudarshan Debnath
(Sat Dec 31 2011 - 07:35:22 PST)
Last message date
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Sat Dec 31 2011 - 08:00:03 PST
Archived on
: Mon Dec 23 2024 - 05:54:24 PST
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