Amber Archive May 2011 by author
- Adrian Roitberg
- Aiko Matsumoto
- Ake Sandgren
- Alessio Atzori
- Alex Rodriguez
- Andre
- Andre Serobian
- Andrew Voronkov
- Ankita Kumari
- Anna Reymer
- Anselm Horn
- arikcohen
- Azat Mukhametov
- baljinder
- Ben Roberts
- Bernhard Poll
- Bill Miller III
- Bill Ross
- bin wang
- Bongkeun Kim
- Bozell, Joseph John
- Brendan Duggan
- Brian Radak
- Bruno Rodrigues
- Buddhadev Maiti
- Carlos Simmerling
- case
- Catein Catherine
- Chiba Shuntaro
- Chiba Suntaro
- Chinh Su Tran To
- dacase.rci.rutgers.edu
- Daniel Aiello
- Daniel Roe
- Daniel Schaal
- Daniel Sindhikara
- David A Case
- David A. Case
- David Case
- david condon
- Dean Cuebas
- Devlina Chakravarty
- Deák Robi
- dhilip kumar ramalingam
- Dmitry Osolodkin
- Domenica Dibenedetto
- Dwight McGee
- Eric Kaufmann
- filip fratev
- Francesco Pietra
- FyD
- g t
- George Madalin Giambasu
- George Tzotzos
- geyan
- Guenegou, Guillaume [ORDFR]
- Gustavo Seabra
- hanlu0366
- hari krishna
- Hashem Taha
- Ignacio J. General
- InSuk Joung
- Jagur Lambix
- Jason Swails
- Re: [AMBER] XLEaP: Could not find type: Cl- (Tue May 31 2011 - 20:31:43 PDT)
- Re: [AMBER] MMPBSA nmode warning (Tue May 31 2011 - 09:15:08 PDT)
- Re: [AMBER] ambpdb water removal for rst files (Sun May 29 2011 - 19:40:42 PDT)
- Re: [AMBER] problems with AmberTools 1.5 compilation (Sun May 29 2011 - 08:57:20 PDT)
- Re: [AMBER] solvatebox (Fri May 27 2011 - 16:17:36 PDT)
- Re: [AMBER] Defining molecules composed of new residues (Fri May 27 2011 - 09:03:44 PDT)
- Re: [AMBER] RAM requirements (Fri May 27 2011 - 04:29:47 PDT)
- Re: [AMBER] RAM requirements (Thu May 26 2011 - 21:01:19 PDT)
- Re: [AMBER] x86_64-alt-linux-gcc: cgen.o: No such file or directory make[1]: Leaving directory `/home/voronkov/amber11/AmberTools/src/nab' make: *** [serial] Error 2 (Thu May 26 2011 - 14:56:48 PDT)
- Re: [AMBER] Test results for amber-cuda, single node, single GPU, Tesla C2070 (Wed May 25 2011 - 19:54:07 PDT)
- Re: [AMBER] Test results for amber-cuda, single node, single GPU, Tesla C2070 (Wed May 25 2011 - 19:25:40 PDT)
- Re: [AMBER] ibelly error (Wed May 25 2011 - 19:21:42 PDT)
- Re: [AMBER] Test results for amber-cuda, single node, single GPU, Tesla C2070 (Wed May 25 2011 - 19:17:08 PDT)
- Re: [AMBER] Test results for amber-cuda, single node, single GPU, Tesla C2070 (Wed May 25 2011 - 19:12:22 PDT)
- Re: [AMBER] Test results for amber-cuda, single node, single GPU, Tesla C2070 (Wed May 25 2011 - 15:35:34 PDT)
- Re: [AMBER] Test results for amber-cuda, single node, single GPU, Tesla C2070 (Wed May 25 2011 - 14:30:19 PDT)
- Re: [AMBER] Test results for amber-cuda, single node, single GPU, Tesla C2070 (Wed May 25 2011 - 10:27:27 PDT)
- Re: [AMBER] sander.MPI (Wed May 25 2011 - 10:11:51 PDT)
- Re: [AMBER] sander.MPI (Wed May 25 2011 - 06:01:37 PDT)
- Re: [AMBER] Size limit of traj file (Tue May 24 2011 - 18:57:52 PDT)
- Re: [AMBER] AMBER scaling and Hardware Specs (Tue May 24 2011 - 18:55:03 PDT)
- Re: [AMBER] sander.MPI (Tue May 24 2011 - 13:11:16 PDT)
- Re: [AMBER] Problem installing AMBER 11 (after installing AmberTools1.5) (Tue May 24 2011 - 08:57:13 PDT)
- Re: [AMBER] Problem installing AMBER 11 (after installing AmberTools1.5) (Tue May 24 2011 - 05:38:05 PDT)
- Re: [AMBER] MMPBSA.py - entropy results (Mon May 23 2011 - 10:19:19 PDT)
- Re: [AMBER] Post-processing trajectories: ntpr - ntwx (Sat May 21 2011 - 14:03:37 PDT)
- Re: [AMBER] Problem of PB calculation when running mmpbsa.py. .. . (Sat May 21 2011 - 13:08:43 PDT)
- Re: [AMBER] Problem of PB calculation when running mmpbsa.py. .. . (Fri May 20 2011 - 14:18:05 PDT)
- Re: [AMBER] Problem of PB calculation when running mmpbsa.py. . (Fri May 20 2011 - 13:11:47 PDT)
- Re: [AMBER] strange dihedral assignment by leap (Fri May 20 2011 - 05:27:11 PDT)
- Re: [AMBER] strange dihedral assignment by leap (Fri May 20 2011 - 04:16:53 PDT)
- Re: [AMBER] Use of uninitialized value $ENV{"AMBERHOME"} (Thu May 19 2011 - 20:24:13 PDT)
- Re: [AMBER] strange dihedral assignment by leap (Thu May 19 2011 - 20:21:19 PDT)
- Re: [AMBER] Amber order (Thu May 19 2011 - 11:29:33 PDT)
- Re: [AMBER] Solvation (Thu May 19 2011 - 05:23:01 PDT)
- Re: [AMBER] segmentation fault when running sander (Thu May 19 2011 - 04:18:54 PDT)
- Re: [AMBER] segmentation fault when running sander (Wed May 18 2011 - 20:30:27 PDT)
- Re: [AMBER] antechamber ERROR (Wed May 18 2011 - 16:23:03 PDT)
- Re: [AMBER] antechamber ERROR (Wed May 18 2011 - 12:49:07 PDT)
- Re: [AMBER] antechamber ERROR (Wed May 18 2011 - 12:18:28 PDT)
- Re: [AMBER] segmentation fault when running sander (Wed May 18 2011 - 11:14:31 PDT)
- Re: [AMBER] forrtl: error (78): process killed (SIGTERM), MD simulation ligand molecule docked into protein (Tue May 17 2011 - 07:41:27 PDT)
- Re: [AMBER] xleap as a molecular viewer (Tue May 17 2011 - 07:26:20 PDT)
- Re: [AMBER] xleap as a molecular viewer (Tue May 17 2011 - 07:01:55 PDT)
- Re: [AMBER] MMPBSA.py, systematic error in ptraj entropy results? (Mon May 16 2011 - 13:48:44 PDT)
- Re: [AMBER] MMPBSA.py - problem processing trajs with ptraj (in more detail) - add (Mon May 16 2011 - 13:46:46 PDT)
- Re: [AMBER] need suggestion about NVIDIA GTX 590 (Mon May 16 2011 - 04:29:02 PDT)
- Re: [AMBER] segmentation fault when running sander (Mon May 16 2011 - 04:27:20 PDT)
- Re: [AMBER] mmpbsa, mdfil: Error unknown flag: not (Sun May 15 2011 - 15:03:50 PDT)
- Re: [AMBER] AmberTools 1.4 from Amber11 on MACOSX (Sat May 14 2011 - 15:02:57 PDT)
- Re: [AMBER] AmberTools 1.4 from Amber11 on MACOSX (Sat May 14 2011 - 12:56:22 PDT)
- Re: [AMBER] Problem with Equilibration (Fri May 13 2011 - 09:12:34 PDT)
- Re: [AMBER] configuring AmberTools 1.5 for Intel MKL (Thu May 12 2011 - 23:17:44 PDT)
- Re: [AMBER] Problem with Equilibration (Thu May 12 2011 - 16:13:11 PDT)
- Re: [AMBER] MMPBSA.py - entropy only? (Thu May 12 2011 - 16:07:22 PDT)
- Re: [AMBER] configuring AmberTools 1.5 for Intel MKL (Thu May 12 2011 - 16:02:30 PDT)
- Re: [AMBER] question about REMD (Wed May 11 2011 - 05:55:33 PDT)
- Re: [AMBER] mmpbsa, mdfil: Error unknown flag: not (Tue May 10 2011 - 13:14:30 PDT)
- Re: [AMBER] SASA parameters Amber99 (Tue May 10 2011 - 08:34:44 PDT)
- Re: [AMBER] SASA parameters Amber99 (Tue May 10 2011 - 07:52:46 PDT)
- Re: [AMBER] visualization of large .mdcrd files (Mon May 09 2011 - 14:38:03 PDT)
- Re: [AMBER] set UNIT box (Mon May 09 2011 - 12:17:56 PDT)
- Re: [AMBER] nmode calculation (Mon May 09 2011 - 11:08:12 PDT)
- Re: [AMBER] set UNIT box (Mon May 09 2011 - 11:04:42 PDT)
- Re: [AMBER] Problem with AMBER 11 and distance restraints (Mon May 09 2011 - 08:42:53 PDT)
- Re: [AMBER] How to restart the MM-PBSA? (Mon May 09 2011 - 08:29:53 PDT)
- Re: [AMBER] Amber 11 compilation (Mon May 09 2011 - 08:19:52 PDT)
- Re: [AMBER] Error in creating a cpin file (Mon May 09 2011 - 07:48:29 PDT)
- Re: [AMBER] Questions about compiling AmberToolsv1.4 (Sun May 08 2011 - 09:24:55 PDT)
- Re: [AMBER] mmpbsa, mdfil: Error unknown flag: not (Sun May 08 2011 - 09:19:27 PDT)
- Re: [AMBER] ptraj (AT 1.4) hiccups with gzipped trajectory files (Sun May 08 2011 - 05:56:47 PDT)
- Re: [AMBER] internal energy INT is not zero in mm_pbsa (Sun May 08 2011 - 03:28:42 PDT)
- Re: [AMBER] internal energy INT is not zero in mm_pbsa (Sun May 08 2011 - 01:56:07 PDT)
- Re: [AMBER] installing ambertools (Sat May 07 2011 - 11:55:20 PDT)
- Re: [AMBER] mmpbsa, mdfil: Error unknown flag: not (Sat May 07 2011 - 11:54:01 PDT)
- Re: [AMBER] Antechamber loading Problem (Sat May 07 2011 - 03:36:35 PDT)
- Re: [AMBER] Antechamber loading Problem (Sat May 07 2011 - 03:04:08 PDT)
- Re: [AMBER] Error in creating a cpin file (Fri May 06 2011 - 17:33:29 PDT)
- Re: [AMBER] forrtl: severe (64): input conversion error, unit -5, file Internal Formatted Read (Fri May 06 2011 - 09:12:16 PDT)
- Re: [AMBER] TS calculation (Fri May 06 2011 - 03:11:10 PDT)
- Re: [AMBER] SANDER ERROR: forrtl: severe (64): input conversion error (Thu May 05 2011 - 15:42:22 PDT)
- Re: [AMBER] Protein drifting out of the solvent box (Thu May 05 2011 - 14:10:17 PDT)
- Re: [AMBER] problem with nmode (Thu May 05 2011 - 07:12:44 PDT)
- Re: [AMBER] forrtl: error (78): process killed (SIGTERM), MD simulation ligand molecule docked into protein (Thu May 05 2011 - 06:36:01 PDT)
- Re: [AMBER] Forcefield for Modified RNA (Thu May 05 2011 - 05:02:54 PDT)
- Re: [AMBER] Loading .mol2 file in sleap (Wed May 04 2011 - 19:05:21 PDT)
- Re: [AMBER] Hardwares requirement (Wed May 04 2011 - 07:36:47 PDT)
- Re: [AMBER] defining the mixed 1-4 scaling in amber 11 and sleap (Tue May 03 2011 - 22:47:07 PDT)
- Re: [AMBER] defining the mixed 1-4 scaling in amber 11 and sleap (Tue May 03 2011 - 11:05:14 PDT)
- Re: [AMBER] mmpbsa problems with amber 11 (Tue May 03 2011 - 10:46:30 PDT)
- Re: [AMBER] Hardwares requirement (Mon May 02 2011 - 04:11:29 PDT)
- Re: [AMBER] Antechamber Problem (Mon May 02 2011 - 04:10:35 PDT)
- Re: [AMBER] Antechamber Problem (Mon May 02 2011 - 03:02:57 PDT)
- Re: [AMBER] mmpbsa problems with amber 11 (Mon May 02 2011 - 01:45:29 PDT)
- Re: [AMBER] mmpbsa nmode problem (Sun May 01 2011 - 03:53:40 PDT)
- Re: [AMBER] MMPBSA for trimerization process (Sun May 01 2011 - 03:48:52 PDT)
- Re: [AMBER] compile errors with AmberTools1.5 + Amber11 (Sun May 01 2011 - 03:45:05 PDT)
- Jesper Sørensen
- jiangxn
- Jiri Sponer
- John S
- Jorge Iulek
- Jorgen Simonsen
- Jose Borreguero
- juzer stationwala
- Kamali Sripathi
- Katharina Lang
- Kshatresh Dutta Dubey
- kurisaki
- Lachele Foley (Lists)
- Lekpa Duukori
- Lishan Yao
- Lorenzo Gontrani
- M. L. Dodson
- Mahmoud Soliman
- manikanthan bhavaraju
- Manish
- Marc van der Kamp
- Marek Maly
- Maria Federica Sanasi
- Mark Williamson
- Martin Peters
- Massimiliano Porrini
- Maura Catherine Mooney
- Michael Forrester
- mirage .
- mish
- moitrayee.mbu.iisc.ernet.in
- Naveen Samala
- Nicole A. Horenstein
- ning-shiuan.lee.yale.edu
- Oliver Kuhn
- Osvaldo Martin
- Pablo Dans Puiggròs
- pankhuri arora
- patrick wintrode
- Paul Rigor
- Re: [AMBER] Test results for amber-cuda, single node, single GPU, Tesla C2070 (Thu May 26 2011 - 23:34:27 PDT)
- Re: [AMBER] Test results for amber-cuda, single node, single GPU, Tesla C2070 (Wed May 25 2011 - 20:33:39 PDT)
- Re: [AMBER] Test results for amber-cuda, single node, single GPU, Tesla C2070 (Wed May 25 2011 - 19:41:32 PDT)
- Re: [AMBER] Test results for amber-cuda, single node, single GPU, Tesla C2070 (Wed May 25 2011 - 19:25:56 PDT)
- Re: [AMBER] Test results for amber-cuda, single node, single GPU, Tesla C2070 (Wed May 25 2011 - 19:19:21 PDT)
- Re: [AMBER] Test results for amber-cuda, single node, single GPU, Tesla C2070 (Wed May 25 2011 - 18:51:43 PDT)
- Re: [AMBER] Test results for amber-cuda, single node, single GPU, Tesla C2070 (Wed May 25 2011 - 17:53:37 PDT)
- Re: [AMBER] Test results for amber-cuda, single node, single GPU, Tesla C2070 (Wed May 25 2011 - 13:35:10 PDT)
- [AMBER] Test results for amber-cuda, single node, single GPU, Tesla C2070 (Wed May 25 2011 - 00:49:18 PDT)
- Re: [AMBER] xleap as a molecular viewer 2 (Wed May 18 2011 - 11:43:03 PDT)
- Re: [AMBER] error preparing a ligand using antechamber (Mon May 16 2011 - 18:50:35 PDT)
- Re: [AMBER] error preparing a ligand using antechamber (Mon May 16 2011 - 17:31:11 PDT)
- Re: [AMBER] error preparing a ligand using antechamber (Mon May 16 2011 - 16:45:40 PDT)
- [AMBER] error preparing a ligand using antechamber (Mon May 16 2011 - 14:18:17 PDT)
- Paul S. Nerenberg
- poll.chemie.uni-hamburg.de
- Qamar Nazir
- Qian Wang
- qiaoyan
- r smith
- Ray Luo
- Ray Luo, Ph.D.
- Robert Duke
- Robert Wohlhueter
- Ross Walker
- Re: [AMBER] Test results for amber-cuda, single node, single GPU, Tesla C2070 (Fri May 27 2011 - 09:02:22 PDT)
- Re: [AMBER] Equilibration step of tutorial 3 taking much longer than estimated run time (Thu May 26 2011 - 10:19:03 PDT)
- Re: [AMBER] Test results for amber-cuda, single node, single GPU, Tesla C2070 (Wed May 25 2011 - 22:28:59 PDT)
- Re: [AMBER] Test results for amber-cuda, single node, single GPU, Tesla C2070 (Wed May 25 2011 - 16:18:44 PDT)
- Re: [AMBER] Test results for amber-cuda, single node, single GPU, Tesla C2070 (Wed May 25 2011 - 14:43:26 PDT)
- Re: [AMBER] CHAMBER (Wed May 25 2011 - 10:45:08 PDT)
- Re: [AMBER] sander.MPI (Wed May 25 2011 - 09:42:49 PDT)
- Re: [AMBER] Test results for amber-cuda, single node, single GPU, Tesla C2070 (Wed May 25 2011 - 09:38:44 PDT)
- Re: [AMBER] AMBER scaling and Hardware Specs (Wed May 25 2011 - 09:29:45 PDT)
- Re: [AMBER] AMBER scaling and Hardware Specs (Tue May 24 2011 - 18:31:25 PDT)
- Re: [AMBER] vacuum in Ewald (Tue May 24 2011 - 09:30:22 PDT)
- Re: [AMBER] system extended beyond the virtual box (Mon May 23 2011 - 22:06:12 PDT)
- Re: [AMBER] Fw: Estiblish (Mon May 23 2011 - 20:46:28 PDT)
- Re: [AMBER] system extended beyond the virtual box (Mon May 23 2011 - 20:42:27 PDT)
- Re: [AMBER] vacuum in Ewald (Mon May 23 2011 - 13:46:47 PDT)
- Re: [AMBER] NEB calculation using amber 11 (Mon May 23 2011 - 10:21:56 PDT)
- Re: [AMBER] Amber 11 Benchmark for GPUs - Binaries and an Evaluation Licenses (Thu May 19 2011 - 14:16:16 PDT)
- Re: [AMBER] Amber 11 Benchmark for GPUs - Binaries and an Evaluation Licenses (Thu May 19 2011 - 09:54:37 PDT)
- Re: [AMBER] Amber 11 Benchmark for GPUs - Binaries and an Evaluation Licenses (Wed May 18 2011 - 10:36:01 PDT)
- Re: [AMBER] Compiling AMBER on Windows 7 with CUDA (Wed May 11 2011 - 15:21:54 PDT)
- Re: [AMBER] Problem related to the Amber (Sun May 08 2011 - 21:34:58 PDT)
- Re: [AMBER] TS calculation (Fri May 06 2011 - 03:15:51 PDT)
- Re: [AMBER] NPT simulation crash using a GPU CARD for a simulation carried out in a organic explicit solvent (Wed May 04 2011 - 09:16:28 PDT)
- Re: [AMBER] Antechamber Problem (Mon May 02 2011 - 01:42:51 PDT)
- Re: [AMBER] help with ewald parameter (Mon May 02 2011 - 01:41:57 PDT)
- Rupa Madyal
- Sangita Kachhap
- Santosh Mogurampelly
- Sasha Buzko
- Scott Le Grand
- Re: [AMBER] RAM requirements (Fri May 27 2011 - 11:13:28 PDT)
- Re: [AMBER] Test results for amber-cuda, single node, single GPU, Tesla C2070 (Wed May 25 2011 - 13:52:39 PDT)
- Re: [AMBER] Test results for amber-cuda, single node, single GPU, Tesla C2070 (Wed May 25 2011 - 13:47:44 PDT)
- Re: [AMBER] Test results for amber-cuda, single node, single GPU, Tesla C2070 (Wed May 25 2011 - 10:54:24 PDT)
- Re: [AMBER] Test results for amber-cuda, single node, single GPU, Tesla C2070 (Wed May 25 2011 - 10:06:29 PDT)
- Re: [AMBER] Amber 11 Benchmark for GPUs - Binaries and an Evaluation Licenses (Thu May 19 2011 - 15:51:15 PDT)
- Re: [AMBER] Amber 11 Benchmark for GPUs - Binaries and an Evaluation Licenses (Thu May 19 2011 - 07:52:27 PDT)
- Scott Pendley
- scott.pendley.gmail.com
- Seibold, Stephen
- Sel Ercan
- selami ercan
- setyanto md
- Shan-ho Tsai
- Shesh Nath
- siddesh southekal
- Sindrila Dutta banik
- souvik sur
- Starr Hazard
- steinbrt.rci.rutgers.edu
- subrata paul
- sunita gupta
- supriyah.imtech.res.in
- Thomas Cheatham
- Thomas Cheatham III
- Thomas Gaillard
- tsurma.umich.edu
- vaibhav dixit
- vhakkim boy
- Vivek Shankar Bharadwaj
- Vlad Cojocaru
- Wong, Sergio E.
- Wook Lee
- Wu Xu
- xiaodong huang
- Yang, Yue
- Zheng
- Zheng, Zhong
- Zora Strelcova
- 姜笑楠
- Last message date: Tue May 31 2011 - 21:00:02 PDT
- Archived on: Mon Dec 23 2024 - 05:54:14 PST
