Amber Archive Jun 2018 by thread
343 messages
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Starting
Thu May 31 2018 - 22:30:02 PDT,
Ending
Sat Jun 30 2018 - 06:00:02 PDT
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Re: [AMBER] S-S bond
FyD
(Thu May 31 2018 - 22:22:31 PDT)
[AMBER] Clarification on forming covalent linkages
senal dinuka
(Fri Jun 01 2018 - 02:00:35 PDT)
Re: [AMBER] Clarification on forming covalent linkages
David A Case
(Fri Jun 01 2018 - 05:26:00 PDT)
[AMBER] lifetime analysis of native/nonnative contacts data
Ruth Helena Tichauer
(Fri Jun 01 2018 - 04:28:46 PDT)
[AMBER] high values of RMSD during the simulation of molecular dynamics between DNA and small molecule. Does anyone explain?
Edjan Silva
(Fri Jun 01 2018 - 07:26:20 PDT)
Re: [AMBER] high values of RMSD during the simulation of molecular dynamics between DNA and small molecule. Does anyone explain?
Carlos Simmerling
(Fri Jun 01 2018 - 07:33:14 PDT)
Re: [AMBER] high values of RMSD during the simulation of molecular dynamics between DNA and small molecule. Does anyone explain?
ABEL Stephane
(Fri Jun 01 2018 - 07:35:54 PDT)
Re: [AMBER] high values of RMSD during the simulation of molecular dynamics between DNA and small molecule. Does anyone explain?
Carlos Simmerling
(Fri Jun 01 2018 - 08:17:01 PDT)
Re: [AMBER] high values of RMSD during the simulation of molecular dynamics between DNA and small molecule. Does anyone explain?
Edjan Silva
(Fri Jun 01 2018 - 18:15:09 PDT)
Re: [AMBER] high values of RMSD during the simulation of molecular dynamics between DNA and small molecule. Does anyone explain?
Carlos Simmerling
(Fri Jun 01 2018 - 18:20:13 PDT)
Re: [AMBER] high values of RMSD during the simulation of molecular dynamics between DNA and small molecule. Does anyone explain?
Edjan Silva
(Fri Jun 01 2018 - 18:38:42 PDT)
Re: [AMBER] high values of RMSD during the simulation of molecular dynamics between DNA and small molecule. Does anyone explain?
Akash Deep Biswas
(Fri Jun 01 2018 - 18:57:10 PDT)
Re: [AMBER] high values of RMSD during the simulation of molecular dynamics between DNA and small molecule. Does anyone explain?
Carlos Simmerling
(Sat Jun 02 2018 - 04:03:31 PDT)
[AMBER] Calculation of the REMD exchange rate in amber 14
RITUPARNA
(Fri Jun 01 2018 - 08:04:03 PDT)
Re: [AMBER] Calculation of the REMD exchange rate in amber 14
Carlos Simmerling
(Fri Jun 01 2018 - 08:17:26 PDT)
[AMBER] Are 1070Ti GPUs Supported?
Zachary Fallon
(Fri Jun 01 2018 - 09:24:16 PDT)
Re: [AMBER] Are 1070Ti GPUs Supported?
Ross Walker
(Sun Jun 03 2018 - 05:05:35 PDT)
Re: [AMBER] Are 1070Ti GPUs Supported?
Zachary Fallon
(Sun Jun 03 2018 - 12:50:39 PDT)
[AMBER] box size
Qinghua Liao
(Fri Jun 01 2018 - 10:10:57 PDT)
Re: [AMBER] box size
Carlos Simmerling
(Fri Jun 01 2018 - 10:59:54 PDT)
Re: [AMBER] box size
Qinghua Liao
(Fri Jun 01 2018 - 11:12:40 PDT)
Re: [AMBER] box size
David A Case
(Sat Jun 02 2018 - 05:39:08 PDT)
Re: [AMBER] box size
Qinghua Liao
(Sat Jun 02 2018 - 05:46:33 PDT)
[AMBER] Question about how to calculate the mass center distance between adjacent repeat units of one polymer chain
唐元晖
(Fri Jun 01 2018 - 14:19:26 PDT)
[AMBER] Using Pytraj to read and write velocity files
Korey M Reid
(Fri Jun 01 2018 - 21:08:03 PDT)
Re: [AMBER] Using Pytraj to read and write velocity files
Hai Nguyen
(Sat Jun 02 2018 - 15:44:59 PDT)
Re: [AMBER] Using Pytraj to read and write velocity files
Korey M Reid
(Tue Jun 05 2018 - 21:03:40 PDT)
Re: [AMBER] Using Pytraj to read and write velocity files
Hai Nguyen
(Tue Jun 05 2018 - 21:21:08 PDT)
Re: [AMBER] Using Pytraj to read and write velocity files
Korey M Reid
(Wed Jun 06 2018 - 00:50:32 PDT)
Re: [AMBER] problems with MCPY.py step 2
Pengfei Li
(Sat Jun 02 2018 - 11:58:52 PDT)
Re: [AMBER] Initial configuration of ADP and ion simulation using AMBER.
Pengfei Li
(Sat Jun 02 2018 - 15:07:44 PDT)
Re: [AMBER] Initial configuration of ADP and ion simulation using AMBER.
Chris Neale
(Sat Jun 02 2018 - 16:04:57 PDT)
Re: [AMBER] Initial configuration of ADP and ion simulation using AMBER.
Abhilash J
(Tue Jun 05 2018 - 11:38:47 PDT)
Re: [AMBER] Initial configuration of ADP and ion simulation using AMBER.
Pengfei Li
(Tue Jun 12 2018 - 12:52:30 PDT)
Re: [AMBER] Initial configuration of ADP and ion simulation using AMBER.
Abhilash J
(Wed Jun 13 2018 - 09:46:09 PDT)
Re: [AMBER] Error in using pdb4amber command
Hai Nguyen
(Sat Jun 02 2018 - 20:58:05 PDT)
[AMBER] Accelerated MD re-weighting---- very high PMF values
Chetna Tyagi
(Sun Jun 03 2018 - 07:25:54 PDT)
Re: [AMBER] Accelerated MD re-weighting---- very high PMF values
Chetna Tyagi
(Sun Jun 03 2018 - 07:27:10 PDT)
[AMBER] Fwd: Accelerated MD re-weighting---- very high PMF values
Chetna Tyagi
(Mon Jun 11 2018 - 05:33:42 PDT)
Re: [AMBER] A question about force-field parameters for organic compounds related to the purchase of AMBER-Certified EXXACT machine
David A Case
(Sun Jun 03 2018 - 09:21:23 PDT)
Re: [AMBER] A question about force-field parameters for organic compounds related to the purchase of AMBER-Certified EXXACT machine
Ross Walker
(Sun Jun 03 2018 - 10:02:23 PDT)
[AMBER] Atom Mask in QMMM calculation
emanuele
(Sun Jun 03 2018 - 13:29:48 PDT)
Re: [AMBER] Atom Mask in QMMM calculation
Goetz, Andreas
(Sun Jun 03 2018 - 18:29:59 PDT)
Re: [AMBER] Atom Mask in QMMM calculation
emanuele falbo
(Mon Jun 04 2018 - 02:31:48 PDT)
[AMBER] Query regarding 3D-RISM output
Rakesh Srivastava
(Sun Jun 03 2018 - 23:45:39 PDT)
Re: [AMBER] Query regarding 3D-RISM output
David A Case
(Mon Jun 04 2018 - 12:21:56 PDT)
Re: [AMBER] Query regarding 3D-RISM output
Rakesh Srivastava
(Mon Jun 04 2018 - 21:51:02 PDT)
[AMBER] Radial distribution function of waters
diego.soler.uam.es
(Mon Jun 04 2018 - 08:08:24 PDT)
Re: [AMBER] Radial distribution function of waters
David A Case
(Mon Jun 04 2018 - 12:24:35 PDT)
Re: [AMBER] Radial distribution function of waters
Gustaf Olsson
(Mon Jun 04 2018 - 23:12:25 PDT)
Re: [AMBER] Radial distribution function of waters
diego.soler.uam.es
(Tue Jun 05 2018 - 05:53:00 PDT)
Re: [AMBER] Radial distribution function of waters
Daniel Roe
(Tue Jun 05 2018 - 06:05:34 PDT)
Re: [AMBER] Radial distribution function of waters
Gustaf Olsson
(Tue Jun 05 2018 - 06:09:01 PDT)
[AMBER] make test error: make: *** [test.serial] Error 2
ersin gündeğer
(Tue Jun 05 2018 - 00:41:32 PDT)
Re: [AMBER] make test error: make: *** [test.serial] Error 2
David A Case
(Tue Jun 05 2018 - 04:39:39 PDT)
Re: [AMBER] make test error: make: *** [test.serial] Error 2
ersin gündeğer
(Thu Jun 07 2018 - 06:21:05 PDT)
[AMBER] Installing GPU version Amber18
juan.franco.uam.es
(Tue Jun 05 2018 - 01:12:30 PDT)
Re: [AMBER] Installing GPU version Amber18
Stephan Schott
(Tue Jun 05 2018 - 02:30:44 PDT)
Re: [AMBER] Installing GPU version Amber18
David A Case
(Tue Jun 05 2018 - 04:45:16 PDT)
Re: [AMBER] Installing GPU version Amber18
Felipe Franco Gonzalez
(Tue Jun 05 2018 - 06:46:47 PDT)
[AMBER] Converting atom naming to GLYCAM
senal dinuka
(Tue Jun 05 2018 - 01:50:11 PDT)
Re: [AMBER] Converting atom naming to GLYCAM
Lachele Foley
(Tue Jun 05 2018 - 07:55:07 PDT)
[AMBER] compatibility of graphic card and Amber
Andrea H. Kasun
(Tue Jun 05 2018 - 02:25:06 PDT)
Re: [AMBER] compatibility of graphic card and Amber
Zachary Fallon
(Tue Jun 05 2018 - 06:52:33 PDT)
Re: [AMBER] compatibility of graphic card and Amber
Andrea H. Kasun
(Tue Jun 05 2018 - 07:12:49 PDT)
Re: [AMBER] compatibility of graphic card and Amber
Carlos Simmerling
(Tue Jun 05 2018 - 07:21:43 PDT)
Re: [AMBER] compatibility of graphic card and Amber
Ross Walker
(Wed Jun 06 2018 - 07:10:10 PDT)
Re: [AMBER] Dimension Box visualization
Aashish Bhatt
(Tue Jun 05 2018 - 03:09:48 PDT)
[AMBER] how to calculate the mass center distance between adjacent repeat units of one polymer chain
唐元晖
(Tue Jun 05 2018 - 09:53:49 PDT)
Re: [AMBER] how to calculate the mass center distance between adjacent repeat units of one polymer chain
Wesley Michael Botello-Smith
(Tue Jun 05 2018 - 10:13:23 PDT)
Re: [AMBER] how to calculate the mass center distance between adjacent repeat units of one polymer chain
唐元晖
(Tue Jun 05 2018 - 13:09:17 PDT)
Re: [AMBER] how to calculate the mass center distance between adjacent repeat units of one polymer chain
Daniel Roe
(Tue Jun 05 2018 - 12:11:53 PDT)
[AMBER] protein sampling efficacy
Lei Zhao
(Tue Jun 05 2018 - 20:10:31 PDT)
[AMBER] NaN in NEB output
Aravind Ravichandran
(Tue Jun 05 2018 - 21:41:51 PDT)
Re: [AMBER] NaN in NEB output
Carlos Simmerling
(Wed Jun 06 2018 - 05:20:37 PDT)
[AMBER] Queries regarding bond command in leap
Aravind Ravichandran
(Tue Jun 05 2018 - 22:06:34 PDT)
Re: [AMBER] Queries regarding bond command in leap
Bill Ross
(Tue Jun 05 2018 - 22:21:44 PDT)
Re: [AMBER] Queries regarding bond command in leap
Aravind Ravichandran
(Tue Jun 05 2018 - 22:43:43 PDT)
Re: [AMBER] Conda Installation error
andreas.tosstorff.cup.uni-muenchen.de
(Wed Jun 06 2018 - 00:41:44 PDT)
Re: [AMBER] Conda Installation error
David A Case
(Wed Jun 06 2018 - 05:08:02 PDT)
Re: [AMBER] Conda Installation error
Hai Nguyen
(Wed Jun 06 2018 - 17:51:43 PDT)
Re: [AMBER] Conda Installation error
andreas.tosstorff.cup.uni-muenchen.de
(Thu Jun 07 2018 - 00:42:21 PDT)
[AMBER] Amber18 and CUDA 9.2
Nikolay N. Kuzmich
(Wed Jun 06 2018 - 02:08:10 PDT)
Re: [AMBER] Amber18 and CUDA 9.2
David A Case
(Wed Jun 06 2018 - 05:15:20 PDT)
Re: [AMBER] Amber18 and CUDA 9.2
Nikolay N. Kuzmich
(Fri Jun 08 2018 - 04:53:00 PDT)
Re: [AMBER] Amber18 and CUDA 9.2
David A Case
(Sat Jun 09 2018 - 05:59:25 PDT)
[AMBER] Advanced restraints in protein mutation
Simon Kit Sang Chu
(Wed Jun 06 2018 - 02:21:10 PDT)
[AMBER] Amber DSSP : Secondary structure
Garima Singh
(Wed Jun 06 2018 - 04:17:18 PDT)
Re: [AMBER] Amber DSSP : Secondary structure
Daniel Roe
(Wed Jun 06 2018 - 10:07:01 PDT)
[AMBER] Carbon-nanotube topology construction
Shilpa Gupta
(Thu Jun 07 2018 - 02:44:10 PDT)
Re: [AMBER] Carbon-nanotube topology construction
David A Case
(Thu Jun 07 2018 - 04:24:14 PDT)
Re: [AMBER] Carbon-nanotube topology construction
Shilpa Gupta
(Thu Jun 07 2018 - 06:04:32 PDT)
[AMBER] MM-GBSA for recptor-magnesium-ligand complex
Urszula Uciechowska
(Thu Jun 07 2018 - 03:24:23 PDT)
Re: [AMBER] MM-GBSA for recptor-magnesium-ligand complex
David A Case
(Thu Jun 07 2018 - 04:28:20 PDT)
Re: [AMBER] MM-GBSA for recptor-magnesium-ligand complex
Urszula Uciechowska
(Wed Jun 13 2018 - 06:07:36 PDT)
Re: [AMBER] AMBER Digest, Vol 2314, Issue 1
Garima Singh
(Thu Jun 07 2018 - 03:34:01 PDT)
[AMBER] CPPTRAJ H-bond Plot
Rana Rehan Khalid
(Thu Jun 07 2018 - 04:33:42 PDT)
Re: [AMBER] CPPTRAJ H-bond Plot
Daniel Roe
(Mon Jun 11 2018 - 12:28:13 PDT)
[AMBER] change x-axis to time for gnuplot using cpptraj
Krantzman, Kristin D
(Thu Jun 07 2018 - 12:19:09 PDT)
[AMBER] conversion of MG ions in parmed
Holly Freedman
(Thu Jun 07 2018 - 16:49:28 PDT)
[AMBER] psf from parmed
Stefano Guglielmo
(Thu Jun 07 2018 - 16:56:46 PDT)
Re: [AMBER] psf from parmed
Pengfei Li
(Tue Jun 12 2018 - 13:02:01 PDT)
Re: [AMBER] psf from parmed
Stefano Guglielmo
(Tue Jun 12 2018 - 13:33:53 PDT)
Re: [AMBER] psf from parmed
Jason Swails
(Wed Jun 13 2018 - 19:38:19 PDT)
Re: [AMBER] psf from parmed
Stefano Guglielmo
(Wed Jun 13 2018 - 23:59:29 PDT)
[AMBER] Bonds across the periodic boundaries
Xiaoyu Wang
(Thu Jun 07 2018 - 20:32:57 PDT)
Re: [AMBER] Bonds across the periodic boundaries
David Cerutti
(Thu Jun 07 2018 - 20:53:33 PDT)
Re: [AMBER] Bonds across the periodic boundaries
Thomas C Bishop
(Fri Jun 08 2018 - 09:53:09 PDT)
[AMBER] Distance restraint not working
Simon Kit Sang Chu
(Fri Jun 08 2018 - 04:13:07 PDT)
Re: [AMBER] Distance restraint not working
Bill Ross
(Fri Jun 08 2018 - 04:32:11 PDT)
Re: [AMBER] Distance restraint not working
Stephan Schott
(Fri Jun 08 2018 - 04:40:13 PDT)
Re: [AMBER] Distance restraint not working
Simon Kit Sang Chu
(Fri Jun 08 2018 - 04:50:53 PDT)
Re: [AMBER] Distance restraint not working
Bill Ross
(Fri Jun 08 2018 - 05:18:32 PDT)
Re: [AMBER] Distance restraint not working
Simon Kit Sang Chu
(Fri Jun 08 2018 - 05:22:20 PDT)
Re: [AMBER] Distance restraint not working
Bill Ross
(Fri Jun 08 2018 - 05:42:46 PDT)
Re: [AMBER] Distance restraint not working
Simon Kit Sang Chu
(Fri Jun 08 2018 - 07:31:43 PDT)
Re: [AMBER] Distance restraint not working
Stephan Schott
(Fri Jun 08 2018 - 10:16:59 PDT)
Re: [AMBER] Distance restraint not working
Simon Kit Sang Chu
(Sat Jun 09 2018 - 03:29:28 PDT)
Re: [AMBER] Distance restraint not working
Stephan Schott
(Mon Jun 11 2018 - 02:07:28 PDT)
Re: [AMBER] Distance restraint not working
Simon Kit Sang Chu
(Mon Jun 11 2018 - 08:15:09 PDT)
[AMBER] Error at runtime running AMBER18 with CUDA91 on GTX980
Wesley Michael Botello-Smith
(Fri Jun 08 2018 - 10:36:54 PDT)
Re: [AMBER] Error at runtime running AMBER18 with CUDA91 on GTX980
Stephan Schott
(Fri Jun 08 2018 - 11:07:36 PDT)
Re: [AMBER] Error at runtime running AMBER18 with CUDA91 on GTX980
Wesley Michael Botello-Smith
(Fri Jun 08 2018 - 11:30:47 PDT)
[AMBER] water box with 64 molecules
赵东波
(Sun Jun 10 2018 - 18:22:47 PDT)
Re: [AMBER] water box with 64 molecules
Bill Ross
(Sun Jun 10 2018 - 19:14:48 PDT)
Re: [AMBER] water box with 64 molecules
David A Case
(Mon Jun 11 2018 - 04:58:18 PDT)
[AMBER] TrajError: start frame (51021) > total frames (5000)
岡部 勇二
(Mon Jun 11 2018 - 00:52:22 PDT)
Re: [AMBER] TrajError: start frame (51021) > total frames (5000)
David A Case
(Mon Jun 11 2018 - 05:03:49 PDT)
Re: [AMBER] TrajError: start frame (51021) > total frames (5000)
y-okabe.cc.miyakonojo-nct.ac.jp
(Mon Jun 11 2018 - 07:26:22 PDT)
[AMBER] Running QMMM on Iron Core enzyme
Devashish_Das
(Mon Jun 11 2018 - 02:59:41 PDT)
Re: [AMBER] Running QMMM on Iron Core enzyme
David A Case
(Mon Jun 11 2018 - 05:08:25 PDT)
[AMBER] QMMM problem
陈金峰
(Mon Jun 11 2018 - 06:59:45 PDT)
Re: [AMBER] QMMM problem
emanuele falbo
(Mon Jun 11 2018 - 07:34:50 PDT)
[AMBER] Change x-axis from frame # to time in gnu plot created with secstruct command using cpptraj
Krantzman, Kristin D
(Mon Jun 11 2018 - 12:07:31 PDT)
Re: [AMBER] Change x-axis from frame # to time in gnu plot created with secstruct command using cpptraj
Daniel Roe
(Mon Jun 11 2018 - 12:20:21 PDT)
Re: [AMBER] Change x-axis from frame # to time in gnu plot created with secstruct command using cpptraj
Krantzman, Kristin D
(Mon Jun 11 2018 - 12:29:08 PDT)
[AMBER] Free Energy landscape (FEL)
Facundo Gomes
(Mon Jun 11 2018 - 19:58:46 PDT)
[AMBER] Simulating drug molecules in lipid bilayers
Christopher Faulkner
(Tue Jun 12 2018 - 05:29:47 PDT)
[AMBER] Including C4 terms LJ12-6-4
Pooria Farahani
(Tue Jun 12 2018 - 05:41:53 PDT)
Re: [AMBER] Including C4 terms LJ12-6-4
Pengfei Li
(Tue Jun 12 2018 - 13:11:51 PDT)
Re: [AMBER] Including C4 terms LJ12-6-4
Pooria Farahani
(Wed Jun 13 2018 - 04:00:52 PDT)
Re: [AMBER] Simulating drug molecules in lipid bilayers
Dickson, Callum
(Wed Jun 13 2018 - 16:24:22 PDT)
Re: [AMBER] Simulating drug molecules in lipid bilayers
Christopher Faulkner
(Thu Jun 14 2018 - 02:36:37 PDT)
[AMBER] Charm-gui and water models
Danial Pourjafar-Dehkordi
(Tue Jun 12 2018 - 08:56:10 PDT)
Re: [AMBER] Charm-gui and water models
Bill Ross
(Tue Jun 12 2018 - 13:28:34 PDT)
Re: [AMBER] Charm-gui and water models
Danial Pourjafar-Dehkordi
(Fri Jun 15 2018 - 06:02:41 PDT)
[AMBER] GaMD Not Running in GPU
Midhun K Madhu
(Tue Jun 12 2018 - 09:25:41 PDT)
[AMBER] Periodic boundary conditions and N_OF_BONDS_COLVAR
Hugo Macdermott-Opeskin
(Tue Jun 12 2018 - 18:51:01 PDT)
Re: [AMBER] Periodic boundary conditions and N_OF_BONDS_COLVAR
Feng Pan
(Tue Jun 12 2018 - 21:04:15 PDT)
[AMBER] AMBER performance degradation on CPU compared to GPU
Dmitry Suplatov
(Wed Jun 13 2018 - 02:46:00 PDT)
Re: [AMBER] AMBER performance degradation on CPU compared to GPU
David A Case
(Wed Jun 13 2018 - 05:52:51 PDT)
[AMBER] NetCDF trajectories in lower precision
Markowska
(Wed Jun 13 2018 - 03:17:21 PDT)
Re: [AMBER] NetCDF trajectories in lower precision
Gustaf Olsson
(Wed Jun 13 2018 - 03:32:44 PDT)
Re: [AMBER] NetCDF trajectories in lower precision
Markowska
(Wed Jun 13 2018 - 03:41:52 PDT)
Re: [AMBER] NetCDF trajectories in lower precision
David A Case
(Wed Jun 13 2018 - 05:35:14 PDT)
[AMBER] CPPTRAJ: Wildcards for the frames to extract
Nikolay N. Kuzmich
(Wed Jun 13 2018 - 05:12:19 PDT)
Re: [AMBER] CPPTRAJ: Wildcards for the frames to extract
David A Case
(Wed Jun 13 2018 - 05:37:18 PDT)
Re: [AMBER] CPPTRAJ: Wildcards for the frames to extract
Nikolay N. Kuzmich
(Fri Jun 15 2018 - 08:15:01 PDT)
[AMBER] Net salt ions ouside the solvent box after AddIons
Kasprzak, Wojciech (NIH/NCI) [C]
(Wed Jun 13 2018 - 12:11:55 PDT)
Re: [AMBER] Net salt ions ouside the solvent box after AddIons
Parviz Seifpanahi Shabane
(Wed Jun 13 2018 - 12:20:00 PDT)
Re: [AMBER] Net salt ions ouside the solvent box after AddIons
Kasprzak, Wojciech (NIH/NCI) [C]
(Wed Jun 13 2018 - 12:53:27 PDT)
Re: [AMBER] Net salt ions ouside the solvent box after AddIons
David A Case
(Wed Jun 13 2018 - 13:10:01 PDT)
Re: [AMBER] Net salt ions ouside the solvent box after AddIons
Kasprzak, Wojciech (NIH/NCI) [C]
(Wed Jun 13 2018 - 13:25:51 PDT)
Re: [AMBER] Net salt ions ouside the solvent box after AddIons
Matias Machado
(Thu Jun 14 2018 - 11:27:11 PDT)
Re: [AMBER] Net salt ions ouside the solvent box after AddIons
Bill Ross
(Thu Jun 14 2018 - 11:43:40 PDT)
Re: [AMBER] Net salt ions - Thank you!
Kasprzak, Wojciech (NIH/NCI) [C]
(Thu Jun 14 2018 - 13:10:19 PDT)
[AMBER] direction in SMD
Qinghua Liao
(Thu Jun 14 2018 - 06:59:19 PDT)
[AMBER] Amber16 + Ambertools17 + CUDA 9.0 + NVIDIA 390 Installation Guide
BERGY
(Thu Jun 14 2018 - 10:10:17 PDT)
Re: [AMBER] Amber16 + Ambertools17 + CUDA 9.0 + NVIDIA 390 Installation Guide
Lod King
(Mon Jun 18 2018 - 19:03:25 PDT)
Re: [AMBER] Amber16 + Ambertools17 + CUDA 9.0 + NVIDIA 390 Installation Guide
David A Case
(Wed Jun 20 2018 - 04:03:46 PDT)
[AMBER] MMGBSA error FATAL: NATOM mismatch in coord and topology files
Urszula Uciechowska
(Thu Jun 14 2018 - 22:45:55 PDT)
Re: [AMBER] MMGBSA error FATAL: NATOM mismatch in coord and topology files
David A Case
(Fri Jun 15 2018 - 04:46:05 PDT)
[AMBER] Progress bar will not be used during Run [strip :WAT, Cl*, CIO, Cs+, IB, K*, Li+, MG*, Na+ ...]
Urszula Uciechowska
(Tue Jun 19 2018 - 02:55:12 PDT)
[AMBER] Trajectory format
ATUL KUMAR
(Fri Jun 15 2018 - 06:02:36 PDT)
Re: [AMBER] Trajectory format
emanuele falbo
(Fri Jun 15 2018 - 06:16:28 PDT)
Re: [AMBER] Trajectory format
ATUL KUMAR
(Fri Jun 15 2018 - 22:09:29 PDT)
Re: [AMBER] Trajectory format
Rodrigo Galindo
(Sat Jun 16 2018 - 07:06:48 PDT)
Re: [AMBER] Trajectory format
ATUL KUMAR
(Sat Jun 16 2018 - 07:23:07 PDT)
Re: [AMBER] Trajectory format
Bill Ross
(Sat Jun 16 2018 - 07:31:26 PDT)
Re: [AMBER] Trajectory format
ATUL KUMAR
(Sat Jun 16 2018 - 07:36:45 PDT)
Re: [AMBER] Trajectory format
Bill Ross
(Sat Jun 16 2018 - 07:56:23 PDT)
Re: [AMBER] Trajectory format
Matias Machado
(Sat Jun 16 2018 - 11:13:19 PDT)
Re: [AMBER] Trajectory format
ATUL KUMAR
(Sat Jun 16 2018 - 11:26:29 PDT)
Re: [AMBER] Trajectory format
Daniel Roe
(Fri Jun 15 2018 - 09:54:28 PDT)
Re: [AMBER] Trajectory format
ATUL KUMAR
(Fri Jun 15 2018 - 22:00:39 PDT)
[AMBER] Deal with trajectoy PBC
陈金峰
(Fri Jun 15 2018 - 06:59:39 PDT)
Re: [AMBER] Deal with trajectoy PBC
Stephan Schott
(Fri Jun 15 2018 - 08:15:40 PDT)
Re: [AMBER] Deal with trajectoy PBC
Wesley Michael Botello-Smith
(Fri Jun 15 2018 - 09:54:48 PDT)
[AMBER] Idea of equilibration in MD before production?
senal dinuka
(Sun Jun 17 2018 - 20:54:37 PDT)
Re: [AMBER] Idea of equilibration in MD before production?
David A Case
(Mon Jun 18 2018 - 05:48:08 PDT)
Re: [AMBER] Idea of equilibration in MD before production?
senal dinuka
(Mon Jun 18 2018 - 08:53:16 PDT)
[AMBER] Implicit solvent TI calculations with soft core potentials
Srinivasaraghavan KANNAN
(Sun Jun 17 2018 - 21:11:54 PDT)
Re: [AMBER] Implicit solvent TI calculations with soft core potentials
David A Case
(Wed Jun 20 2018 - 04:07:07 PDT)
[AMBER] Problems in running MMPBSA.py: undefined symbol: __libm_feature_flag
Qing Lv
(Sun Jun 17 2018 - 21:56:07 PDT)
Re: [AMBER] Problems in running MMPBSA.py: undefined symbol: __libm_feature_flag
Ray Luo
(Mon Jun 18 2018 - 10:07:32 PDT)
Re: [AMBER] Problems in running MMPBSA.py: undefined symbol: __libm_feature_flag
Qing Lv
(Fri Jun 22 2018 - 20:33:58 PDT)
[AMBER] How to read .nc file in VMD
Qing Lv
(Sat Jun 23 2018 - 23:36:04 PDT)
Re: [AMBER] How to read .nc file in VMD
Markowska
(Sun Jun 24 2018 - 05:14:51 PDT)
Re: [AMBER] How to read .nc file in VMD
Qing Lv
(Sun Jun 24 2018 - 06:01:58 PDT)
Re: [AMBER] Problems in running MMPBSA.py: undefined symbol: __libm_feature_flag
David A Case
(Wed Jun 20 2018 - 04:05:11 PDT)
Re: [AMBER] Problems in running MMPBSA.py: undefined symbol: __libm_feature_flag
Daniel Roe
(Wed Jun 20 2018 - 05:28:01 PDT)
[AMBER] Defining aMD Boost Parameters (Range and Distribution) for Hamiltonian Replica Exchange
Jason Ku Wang
(Mon Jun 18 2018 - 18:09:18 PDT)
[AMBER] Implicit solvent TI calculations with soft core potentials
Srinivasaraghavan KANNAN
(Mon Jun 18 2018 - 19:51:13 PDT)
[AMBER] restarting REMD vacuum simulation with watercap
Duy Tran Phuoc
(Mon Jun 18 2018 - 20:25:56 PDT)
Re: [AMBER] restarting REMD vacuum simulation with watercap
Cruzeiro,Vinicius Wilian D
(Tue Jun 19 2018 - 13:43:54 PDT)
[AMBER] AMBER: targeted MD
李耀
(Tue Jun 19 2018 - 22:03:47 PDT)
Re: [AMBER] AMBER: targeted MD
Charles Lin
(Thu Jun 21 2018 - 09:45:33 PDT)
[AMBER] Reg. esander or energy command not found.
DHEERAJ CHITARA
(Wed Jun 20 2018 - 00:30:53 PDT)
Re: [AMBER] Reg. esander or energy command not found.
David A Case
(Wed Jun 20 2018 - 03:58:36 PDT)
Re: [AMBER] Reg. esander or energy command not found.
Daniel Roe
(Wed Jun 20 2018 - 05:32:21 PDT)
[AMBER] How to "un-strip" the MG* atom from mmpbsa
Urszula Uciechowska
(Wed Jun 20 2018 - 02:41:08 PDT)
Re: [AMBER] How to "un-strip" the MG* atom from mmpbsa
Thomas Cheatham
(Wed Jun 20 2018 - 03:42:53 PDT)
Re: [AMBER] How to "un-strip" the MG* atom from mmpbsa
Urszula Uciechowska
(Wed Jun 20 2018 - 03:50:11 PDT)
Re: [AMBER] How to "un-strip" the MG* atom from mmpbsa
Daniel Roe
(Wed Jun 20 2018 - 05:35:42 PDT)
[AMBER] bad atom type for Mn after running mmpbsa
Urszula Uciechowska
(Wed Jun 20 2018 - 02:49:15 PDT)
Re: [AMBER] bad atom type for Mn after running mmpbsa
Thomas Cheatham
(Wed Jun 20 2018 - 03:53:35 PDT)
[AMBER] script for converting amber parameters into CNS file
Urszula Uciechowska
(Wed Jun 20 2018 - 04:31:00 PDT)
Re: [AMBER] script for converting amber parameters into CNS file
David A Case
(Fri Jun 22 2018 - 05:43:19 PDT)
[AMBER] GIST preparetion error
Gamze Özbay
(Wed Jun 20 2018 - 05:19:19 PDT)
Re: [AMBER] GIST preparetion error
Daniel Roe
(Wed Jun 20 2018 - 05:25:36 PDT)
Re: [AMBER] GIST preparetion error
Tom Kurtzman
(Wed Jun 20 2018 - 06:28:44 PDT)
Re: [AMBER] GIST preparetion error
Gamze Özbay
(Thu Jun 21 2018 - 02:31:31 PDT)
Re: [AMBER] GIST preparetion error
Tom Kurtzman
(Thu Jun 21 2018 - 09:21:54 PDT)
[AMBER] Cpptraj h-bond
Rana Rehan Khalid
(Wed Jun 20 2018 - 10:37:26 PDT)
Re: [AMBER] Cpptraj h-bond
Rana Rehan Khalid
(Thu Jun 21 2018 - 08:05:55 PDT)
[AMBER] why tleap adds TER in the middle of a DNA sequence
Kat G
(Wed Jun 20 2018 - 11:40:52 PDT)
Re: [AMBER] why tleap adds TER in the middle of a DNA sequence
Bill Ross
(Wed Jun 20 2018 - 19:05:40 PDT)
Re: [AMBER] why tleap adds TER in the middle of a DNA sequence
David A Case
(Fri Jun 22 2018 - 05:40:23 PDT)
[AMBER] Amber14-GIST
Berkant Düzgün
(Thu Jun 21 2018 - 01:42:52 PDT)
Re: [AMBER] Amber14-GIST
Tom Kurtzman
(Thu Jun 21 2018 - 09:18:38 PDT)
[AMBER] Problem in Membrane Simulation : water molecules are out of box
somdev pahari
(Thu Jun 21 2018 - 07:21:45 PDT)
Re: [AMBER] Problem in Membrane Simulation : water molecules are out of box
David Cerutti
(Thu Jun 21 2018 - 07:41:18 PDT)
[AMBER] AMBER18 pmemd.cuda running error for divalent metal ions represented using multisite (dummy) atom model with the 12-6-4 LJ potential
Zuo, Zhicheng
(Thu Jun 21 2018 - 14:45:16 PDT)
Re: [AMBER] AMBER18 pmemd.cuda running error for divalent metal ions represented using multisite (dummy) atom model with the 12-6-4 LJ potential
Qinghua Liao
(Thu Jun 21 2018 - 15:42:22 PDT)
Re: [AMBER] AMBER18 pmemd.cuda running error for divalent metal ions represented using multisite (dummy) atom model with the 12-6-4 LJ potential
Zuo, Zhicheng
(Sat Jun 23 2018 - 07:51:11 PDT)
Re: [AMBER] AMBER18 pmemd.cuda running error for divalent metal ions represented using multisite (dummy) atom model with the 12-6-4 LJ potential
Qinghua Liao
(Tue Jun 26 2018 - 14:50:41 PDT)
[AMBER] Question on writing clustering information
Subha Kalyaanamoorthy
(Thu Jun 21 2018 - 17:57:31 PDT)
[AMBER] Lipid diffusion COM drift
Christopher Faulkner
(Fri Jun 22 2018 - 01:43:22 PDT)
Re: [AMBER] Lipid diffusion COM drift
Stephan Schott
(Fri Jun 22 2018 - 03:44:42 PDT)
Re: [AMBER] Lipid diffusion COM drift
Christopher Faulkner
(Mon Jun 25 2018 - 04:39:27 PDT)
Re: [AMBER] Lipid diffusion COM drift
Stephan Schott
(Mon Jun 25 2018 - 06:00:25 PDT)
[AMBER] Multi GPU performance
陈金峰
(Fri Jun 22 2018 - 04:58:58 PDT)
Re: [AMBER] Multi GPU performance
David Cerutti
(Fri Jun 22 2018 - 07:08:32 PDT)
Re: [AMBER] Multi GPU performance
James Kress
(Fri Jun 22 2018 - 07:54:26 PDT)
Re: [AMBER] Multi GPU performance
David Cerutti
(Fri Jun 22 2018 - 08:00:01 PDT)
[AMBER] Difference between frcmod and mdl parameters
Rakesh Srivastava
(Fri Jun 22 2018 - 10:16:43 PDT)
Re: [AMBER] Difference between frcmod and mdl parameters
David A Case
(Fri Jun 22 2018 - 11:02:29 PDT)
Re: [AMBER] Difference between frcmod and mdl parameters
Rakesh Srivastava
(Fri Jun 22 2018 - 21:14:12 PDT)
[AMBER] Question on writing clustering information with cpptraj
Subha Kalyaanamoorthy
(Fri Jun 22 2018 - 11:04:30 PDT)
Re: [AMBER] Question on writing clustering information with cpptraj
Daniel Roe
(Tue Jun 26 2018 - 06:35:29 PDT)
Re: [AMBER] Question on writing clustering information with cpptraj
Subha Kalyaanamoorthy
(Tue Jun 26 2018 - 10:29:58 PDT)
Re: [AMBER] Question on writing clustering information with cpptraj
Daniel Roe
(Tue Jun 26 2018 - 10:53:52 PDT)
Re: [AMBER] Question on writing clustering information with cpptraj
Subha Kalyaanamoorthy
(Tue Jun 26 2018 - 11:50:12 PDT)
[AMBER] AMBER18 pmemd.cuda TI generates Error: an illegal memory access was encountered launching kernel kNLSkinTest
Maximilian Ebert
(Sat Jun 23 2018 - 07:53:35 PDT)
Re: [AMBER] AMBER18 pmemd.cuda TI generates Error: an illegal memory access was encountered launching kernel kNLSkinTest
David Cerutti
(Sat Jun 23 2018 - 15:10:26 PDT)
Re: [AMBER] AMBER18 pmemd.cuda TI generates Error: an illegal memory access was encountered launching kernel kNLSkinTest
Maximilian Ebert
(Sun Jun 24 2018 - 07:58:22 PDT)
Re: [AMBER] AMBER18 pmemd.cuda TI generates Error: an illegal memory access was encountered launching kernel kNLSkinTest
Darrin York
(Mon Jun 25 2018 - 11:00:24 PDT)
Re: [AMBER] AMBER18 pmemd.cuda TI generates Error: an illegal memory access was encountered launching kernel kNLSkinTest
Maximilian Ebert
(Tue Jun 26 2018 - 13:50:20 PDT)
[AMBER] Extract force for every atom in a 100ns MD run trajectory
Lod King
(Sun Jun 24 2018 - 00:04:17 PDT)
Re: [AMBER] Extract force for every atom in a 100ns MD run trajectory
David A Case
(Sun Jun 24 2018 - 13:18:15 PDT)
Re: [AMBER] Extract force for every atom in a 100ns MD run trajectory
Lod King
(Sun Jun 24 2018 - 13:45:49 PDT)
Re: [AMBER] Extract force for every atom in a 100ns MD run trajectory
Kellon Belfon
(Sun Jun 24 2018 - 17:58:33 PDT)
[AMBER] Fwd: increase speed in amber using implcit solvent model
Chhaya Singh
(Sun Jun 24 2018 - 00:26:33 PDT)
Re: [AMBER] Fwd: increase speed in amber using implcit solvent model
Carlos Simmerling
(Sun Jun 24 2018 - 04:18:56 PDT)
Re: [AMBER] Fwd: increase speed in amber using implcit solvent model
David A Case
(Sun Jun 24 2018 - 11:49:08 PDT)
Re: [AMBER] Fwd: increase speed in amber using implcit solvent model
Chhaya Singh
(Sun Jun 24 2018 - 23:44:06 PDT)
Re: [AMBER] Fwd: increase speed in amber using implcit solvent model
Chhaya Singh
(Sun Jun 24 2018 - 23:57:37 PDT)
Re: [AMBER] Fwd: increase speed in amber using implcit solvent model
Matias Machado
(Tue Jun 26 2018 - 09:27:58 PDT)
Re: [AMBER] Fwd: increase speed in amber using implcit solvent model
Chhaya Singh
(Wed Jun 27 2018 - 11:26:23 PDT)
[AMBER] Unit 5 Error on OPEN:mdin on clustuer with pmemd.cuda
Meng Wu
(Sun Jun 24 2018 - 02:23:11 PDT)
Re: [AMBER] Unit 5 Error on OPEN:mdin on clustuer with pmemd.cuda
David A Case
(Sun Jun 24 2018 - 11:54:01 PDT)
[AMBER] Fortran runtime error: Cannot write to file opened for READ
Lod King
(Sun Jun 24 2018 - 22:33:39 PDT)
Re: [AMBER] Fortran runtime error: Cannot write to file opened for READ
David A Case
(Mon Jun 25 2018 - 04:59:02 PDT)
Re: [AMBER] Fortran runtime error: Cannot write to file opened for READ
Lod King
(Mon Jun 25 2018 - 09:02:57 PDT)
[AMBER] QMMM interface for TURBOMOLE
Francesca Lønstad Bleken
(Mon Jun 25 2018 - 01:49:56 PDT)
[AMBER] radial distribution from center of mass of solute
Shilpa Gupta
(Mon Jun 25 2018 - 02:57:42 PDT)
Re: [AMBER] radial distribution from center of mass of solute
emanuele falbo
(Mon Jun 25 2018 - 03:29:22 PDT)
Re: [AMBER] radial distribution from center of mass of solute
Shilpa Gupta
(Mon Jun 25 2018 - 03:37:20 PDT)
Re: [AMBER] radial distribution from center of mass of solute
emanuele falbo
(Mon Jun 25 2018 - 03:50:12 PDT)
[AMBER] Problem regarding running independent parallel simulations in AMBER14 using -rem<#>
RITUPARNA ROY
(Mon Jun 25 2018 - 07:56:07 PDT)
Re: [AMBER] Problem regarding running independent parallel simulations in AMBER14 using -rem<#>
Cruzeiro,Vinicius Wilian D
(Mon Jun 25 2018 - 08:01:14 PDT)
Re: [AMBER] Problem regarding running independent parallel simulations in AMBER14 using -rem<#>
RITUPARNA ROY
(Mon Jun 25 2018 - 08:43:52 PDT)
Re: [AMBER] Problem regarding running independent parallel simulations in AMBER14 using -rem<#>
Cruzeiro,Vinicius Wilian D
(Mon Jun 25 2018 - 08:48:17 PDT)
[AMBER] Time averaged mean squared displacement
Christopher Faulkner
(Mon Jun 25 2018 - 08:50:34 PDT)
[AMBER] Amber16 (with AmberToos16) install problems.
Seibold, Steve Allan
(Mon Jun 25 2018 - 08:55:07 PDT)
Re: [AMBER] Amber16 (with AmberToos16) install problems.
David A Case
(Mon Jun 25 2018 - 11:31:34 PDT)
[AMBER] Install problems fftw for AMBER16
Seibold, Steve Allan
(Tue Jun 26 2018 - 11:10:22 PDT)
Re: [AMBER] Install problems fftw for AMBER16
David A Case
(Wed Jun 27 2018 - 08:34:43 PDT)
[AMBER] rism1d query
Rakesh Srivastava
(Tue Jun 26 2018 - 22:34:22 PDT)
Re: [AMBER] rism1d query
Leena Aggarwal
(Wed Jun 27 2018 - 02:12:39 PDT)
Re: [AMBER] rism1d query
Rakesh Srivastava
(Wed Jun 27 2018 - 03:24:28 PDT)
Re: [AMBER] rism1d query
Leena Aggarwal
(Wed Jun 27 2018 - 05:30:25 PDT)
Re: [AMBER] rism1d query
Rakesh Srivastava
(Wed Jun 27 2018 - 05:37:21 PDT)
Re: [AMBER] rism1d query
Leena Aggarwal
(Wed Jun 27 2018 - 06:18:46 PDT)
Re: [AMBER] rism1d query
Tyler Luchko (Lists)
(Wed Jun 27 2018 - 09:52:09 PDT)
Re: [AMBER] rism1d query
Rakesh Srivastava
(Wed Jun 27 2018 - 22:01:21 PDT)
[AMBER] rism1d convergence query
Rakesh Srivastava
(Tue Jun 26 2018 - 23:14:17 PDT)
Re: [AMBER] rism1d convergence query
Tyler Luchko (Lists)
(Wed Jun 27 2018 - 10:00:19 PDT)
Re: [AMBER] rism1d convergence query
Rakesh Srivastava
(Wed Jun 27 2018 - 22:00:16 PDT)
Re: [AMBER] rism1d convergence query
Rakesh Srivastava
(Wed Jun 27 2018 - 23:02:32 PDT)
Re: [AMBER] rism1d convergence query
Tyler Luchko (Lists)
(Thu Jun 28 2018 - 09:20:29 PDT)
Re: [AMBER] rism1d convergence query
Rakesh Srivastava
(Fri Jun 29 2018 - 00:36:11 PDT)
[AMBER] query regarding the Amber 12 compatibility with RHEL upgraded versions
Leena Aggarwal
(Wed Jun 27 2018 - 23:50:17 PDT)
Re: [AMBER] query regarding the Amber 12 compatibility with RHEL upgraded versions
David A Case
(Thu Jun 28 2018 - 03:51:08 PDT)
Re: [AMBER] query regarding the Amber 12 compatibility with RHEL upgraded versions
Leena Aggarwal
(Thu Jun 28 2018 - 03:55:33 PDT)
[AMBER] Amber16 with AmberTools18
Shirin Jamshidi
(Thu Jun 28 2018 - 02:13:53 PDT)
[AMBER] Regarding the MPI error in parallel running of 3D-RISM
PRITI ROY
(Thu Jun 28 2018 - 04:35:13 PDT)
Re: [AMBER] Regarding the MPI error in parallel running of 3D-RISM
George M. Giambasu
(Thu Jun 28 2018 - 07:03:40 PDT)
Re: [AMBER] Regarding the MPI error in parallel running of 3D-RISM
PRITI ROY
(Thu Jun 28 2018 - 10:49:24 PDT)
Re: [AMBER] Regarding the MPI error in parallel running of 3D-RISM
David A Case
(Thu Jun 28 2018 - 11:26:17 PDT)
Re: [AMBER] Regarding the MPI error in parallel running of 3D-RISM
PRITI ROY
(Thu Jun 28 2018 - 21:52:02 PDT)
Re: [AMBER] Regarding the MPI error in parallel running of 3D-RISM
George M. Giambasu
(Fri Jun 29 2018 - 07:02:53 PDT)
[AMBER] REF_ENERGY in Titratable_residues.py
Nuno Barbosa
(Thu Jun 28 2018 - 06:52:35 PDT)
[AMBER] Using chirality restraints for modified residues
Baptiste Legrand
(Thu Jun 28 2018 - 09:03:11 PDT)
Re: [AMBER] Using chirality restraints for modified residues
Carlos Simmerling
(Thu Jun 28 2018 - 09:15:21 PDT)
Re: [AMBER] Using chirality restraints for modified residues
David A Case
(Thu Jun 28 2018 - 11:31:13 PDT)
Re: [AMBER] Using chirality restraints for modified residues
Baptiste Legrand
(Fri Jun 29 2018 - 01:32:33 PDT)
Re: [AMBER] Using chirality restraints for modified residues
Bill Ross
(Fri Jun 29 2018 - 01:52:44 PDT)
Re: [AMBER] Using chirality restraints for modified residues
Baptiste Legrand
(Fri Jun 29 2018 - 02:43:44 PDT)
Re: [AMBER] Using chirality restraints for modified residues
Bill Ross
(Fri Jun 29 2018 - 03:21:41 PDT)
[AMBER] calculating force correlation in trajectory
Lod King
(Thu Jun 28 2018 - 10:55:21 PDT)
Re: [AMBER] calculating force correlation in trajectory
David A Case
(Thu Jun 28 2018 - 11:37:13 PDT)
Re: [AMBER] calculating force correlation in trajectory
Lod King
(Thu Jun 28 2018 - 11:47:14 PDT)
Re: [AMBER] calculating force correlation in trajectory
David A Case
(Thu Jun 28 2018 - 15:04:51 PDT)
Re: [AMBER] calculating force correlation in trajectory
Lod King
(Thu Jun 28 2018 - 16:30:06 PDT)
[AMBER] implicit solvent
Chhaya Singh
(Thu Jun 28 2018 - 11:07:42 PDT)
Re: [AMBER] implicit solvent
Chhaya Singh
(Thu Jun 28 2018 - 11:28:40 PDT)
Re: [AMBER] implicit solvent
David A Case
(Thu Jun 28 2018 - 11:40:31 PDT)
Re: [AMBER] implicit solvent
Chhaya Singh
(Thu Jun 28 2018 - 11:42:31 PDT)
Re: [AMBER] implicit solvent
Chhaya Singh
(Fri Jun 29 2018 - 12:29:24 PDT)
Re: [AMBER] implicit solvent
Carlos Simmerling
(Fri Jun 29 2018 - 12:33:30 PDT)
Re: [AMBER] implicit solvent
Chhaya Singh
(Fri Jun 29 2018 - 12:37:05 PDT)
Re: [AMBER] implicit solvent
Chhaya Singh
(Fri Jun 29 2018 - 12:33:23 PDT)
[AMBER] Gaussian aMD in Amber14
anu chandra
(Fri Jun 29 2018 - 00:22:54 PDT)
[AMBER] Geforce GTX 1080Ti testing on Amber18/CUDA 9.2
Nikolay N. Kuzmich
(Fri Jun 29 2018 - 04:58:17 PDT)
Re: [AMBER] Geforce GTX 1080Ti testing on Amber18/CUDA 9.2
Dow Hurst
(Fri Jun 29 2018 - 11:28:45 PDT)
[AMBER] cpptraj and sander
Portillo, Jennifer
(Fri Jun 29 2018 - 07:15:05 PDT)
Re: [AMBER] cpptraj and sander
David A Case
(Fri Jun 29 2018 - 18:03:09 PDT)
[AMBER] Individual bridging water lifetimes by closest?
Kenneth Huang
(Fri Jun 29 2018 - 12:21:19 PDT)
[AMBER] implicit solvent simmulation
Chhaya Singh
(Fri Jun 29 2018 - 12:26:24 PDT)
Re: [AMBER] implicit solvent simmulation
Chhaya Singh
(Fri Jun 29 2018 - 14:40:04 PDT)
Re: [AMBER] implicit solvent simmulation
Charles-Alexandre Mattelaer
(Sat Jun 30 2018 - 05:55:23 PDT)
[AMBER] Cuda
Zahra Khatti
(Sat Jun 30 2018 - 05:47:33 PDT)
Last message date
:
Sat Jun 30 2018 - 06:00:02 PDT
Archived on
: Wed Apr 24 2024 - 05:55:39 PDT
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