AMBER Archive (2004) - Jun 2004 By Date

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Starting: Tue Jun 01 2004 - 02:22:14 CDT
Ending: Wed Jun 30 2004 - 20:10:02 CDT

Re: AMBER: Install Amber8 under cygwin Scott Brozell (Tue Jun 01 2004 - 02:22:14 CDT)
AMBER: Periodic boundary simulation Soon (Tue Jun 01 2004 - 04:08:31 CDT)
AMBER: Free energy in Amber8 Jiten (Tue Jun 01 2004 - 05:11:54 CDT)
Re: AMBER: Periodic boundary simulation Jiten (Tue Jun 01 2004 - 05:14:59 CDT)
Re: AMBER: Free energy in Amber8 Miguel (Tue Jun 01 2004 - 06:11:39 CDT)
Re: AMBER: Periodic boundary simulation Miguel (Tue Jun 01 2004 - 06:14:34 CDT)
Re: AMBER: Periodic boundary simulation darden (Tue Jun 01 2004 - 08:11:54 CDT)
Re: AMBER: FEP error/early termination - why? Annette Höglund (Tue Jun 01 2004 - 09:34:53 CDT)
AMBER: Heme parameters Gustavo Pierdominici Sottile (Tue Jun 01 2004 - 10:32:06 CDT)
AMBER: Amber force field for protein-DNA system jz7_at_duke.edu (Tue Jun 01 2004 - 11:14:16 CDT)
Re: AMBER: Amber force field for protein-DNA system Rhonda Torres (Tue Jun 01 2004 - 12:24:57 CDT)
AMBER: sander8 performance Oliver Hucke (Tue Jun 01 2004 - 12:53:46 CDT)
RE: AMBER: Amber force field for protein-DNA system Ross Walker (Tue Jun 01 2004 - 13:09:37 CDT)
AMBER: Amber7: pdb format file vidit kumar (Tue Jun 01 2004 - 13:13:03 CDT)
Re: AMBER: Amber7: pdb format file Peter Gannett (Tue Jun 01 2004 - 13:22:32 CDT)
RE: AMBER: Amber force field for protein-DNA system Bill Ross (Tue Jun 01 2004 - 13:32:52 CDT)
AMBER: sander of AMBER 8 doesn't work Feng, Hanqiao (NIH/NCI) (Tue Jun 01 2004 - 13:39:56 CDT)
Re: AMBER: Amber force field for protein-DNA system David A. Case (Tue Jun 01 2004 - 13:40:15 CDT)
RE: AMBER: Amber7: pdb format file Ross Walker (Tue Jun 01 2004 - 13:49:31 CDT)
RE: AMBER: sander of AMBER 8 doesn't work Ross Walker (Tue Jun 01 2004 - 13:56:29 CDT)
Re: AMBER: Free energy in Amber8 David A. Case (Tue Jun 01 2004 - 14:17:34 CDT)
Re: AMBER: Heme parameters David A. Case (Tue Jun 01 2004 - 14:20:56 CDT)
Re: AMBER: sander8 performance David A. Case (Tue Jun 01 2004 - 14:22:29 CDT)
Re: AMBER: Amber7: pdb format file David A. Case (Tue Jun 01 2004 - 14:23:47 CDT)
Re: AMBER: sander8 performance Oliver Hucke (Tue Jun 01 2004 - 14:46:06 CDT)
AMBER: Amber force field for protein-DNA system (again) jz7_at_duke.edu (Tue Jun 01 2004 - 14:51:59 CDT)
Re: AMBER: sander8 performance David A. Case (Tue Jun 01 2004 - 15:15:50 CDT)
AMBER: RED Xin Hu (Tue Jun 01 2004 - 18:02:37 CDT)
Re: AMBER: Software to visualize normal modes! John Mongan (Tue Jun 01 2004 - 18:20:38 CDT)
Re: [pradipta_b@mail.jnu.ac.in: AMBER: Software to visualize normal modes!] David A. Case (Tue Jun 01 2004 - 18:24:54 CDT)
Re: AMBER: Free energy in Amber8 Jiten (Tue Jun 01 2004 - 20:02:40 CDT)
AMBER: Add Hydrogen bond through xLeap? Nan Lin (Wed Jun 02 2004 - 01:25:18 CDT)
AMBER: question about replica exchange in amber8 J. Zhang, Dr (Wed Jun 02 2004 - 04:24:24 CDT)
Re: AMBER: question about replica exchange in amber8 apw397_at_soton.ac.uk (Wed Jun 02 2004 - 04:43:21 CDT)
RE: AMBER: sander of AMBER 8 doesn't work Feng, Hanqiao (NIH/NCI) (Wed Jun 02 2004 - 07:45:01 CDT)
Re: AMBER: question about replica exchange in amber8 Guanglei Cui (Wed Jun 02 2004 - 08:58:32 CDT)
Re: AMBER: Add Hydrogen bond through xLeap? Guanglei Cui (Wed Jun 02 2004 - 09:06:47 CDT)
Re: AMBER: question about replica exchange in amber8 xiaolin cheng (Wed Jun 02 2004 - 09:23:30 CDT)
Re: AMBER: Free energy in Amber8 David A. Case (Wed Jun 02 2004 - 09:35:24 CDT)
Re: AMBER: sander of AMBER 8 doesn't work David A. Case (Wed Jun 02 2004 - 09:47:20 CDT)
AMBER: Gaussian Interface ? Jiten (Wed Jun 02 2004 - 10:06:12 CDT)
AMBER: mm_pbsa test problem Difei Wang (Wed Jun 02 2004 - 10:54:40 CDT)
AMBER: Amber force field for protein-DNA system (again) jz7_at_duke.edu (Wed Jun 02 2004 - 12:31:56 CDT)
Re: AMBER: segmentation fault when running parmchk Chutintorn Punwong (Wed Jun 02 2004 - 12:57:06 CDT)
Re: AMBER: segmentation fault when running parmchk David A. Case (Wed Jun 02 2004 - 13:41:56 CDT)
Re: AMBER: segmentation fault when running parmchk Chutintorn Punwong (Wed Jun 02 2004 - 14:11:22 CDT)
AMBER: Re: AMBER vidit kumar (Wed Jun 02 2004 - 20:19:08 CDT)
Re: AMBER: Re: AMBER Jiten (Wed Jun 02 2004 - 20:48:37 CDT)
Re: AMBER: question about replica exchange in amber8 J. Zhang, Dr (Wed Jun 02 2004 - 21:16:19 CDT)
AMBER: confusion about epsilon=4r for nmode calclation of nucleic acid xiaowei li (Wed Jun 02 2004 - 22:15:29 CDT)
AMBER: simulated anealling anshul_at_imtech.res.in (Thu Jun 03 2004 - 09:12:55 CDT)
Re: AMBER: simulated anealling Jiten (Wed Jun 02 2004 - 23:02:00 CDT)
AMBER: Simulated anealling anshul_at_imtech.res.in (Thu Jun 03 2004 - 09:30:42 CDT)
AMBER: About DelPhi and GRASP Ilyas Yildirim (Wed Jun 02 2004 - 23:10:07 CDT)
Re: AMBER: simulated anealling anshul_at_imtech.res.in (Thu Jun 03 2004 - 11:56:58 CDT)
AMBER: parallel Sander (amber8): run-time error under Irix Karol Miaskiewicz (Thu Jun 03 2004 - 09:42:25 CDT)
AMBER: amber8 compile on Lemieux Guanglei Cui (Thu Jun 03 2004 - 10:06:21 CDT)
Re: AMBER: parallel Sander (amber8): run-time error under Irix Carlos Simmerling (Thu Jun 03 2004 - 10:03:43 CDT)
Re: AMBER: parallel Sander (amber8): run-time error under Irix Karol Miaskiewicz (Thu Jun 03 2004 - 10:29:06 CDT)
AMBER: MMPBSA problem John (Thu Jun 03 2004 - 11:09:05 CDT)
AMBER: Loading mol2 Files in XLEaP Robyn Ayscue (Thu Jun 03 2004 - 11:14:00 CDT)
AMBER: Loading mol2 files in XLEaP Robyn Ayscue (Thu Jun 03 2004 - 11:17:54 CDT)
Re: AMBER: Loading mol2 Files in XLEaP FyD (Thu Jun 03 2004 - 11:26:38 CDT)
AMBER: Sander & fix atoms bybaker_at_itsa.ucsf.edu (Thu Jun 03 2004 - 11:48:40 CDT)
AMBER: mm_pbsa.pl question Fang, Jianwen (Thu Jun 03 2004 - 12:14:29 CDT)
AMBER: question about xleap jz7_at_duke.edu (Thu Jun 03 2004 - 12:19:27 CDT)
Re: AMBER: Sander & fix atoms Viktor Hornak (Thu Jun 03 2004 - 12:22:55 CDT)
Re: AMBER: question about xleap Viktor Hornak (Thu Jun 03 2004 - 12:31:23 CDT)
RE: AMBER: question about xleap Ross Walker (Thu Jun 03 2004 - 13:03:04 CDT)
Re: AMBER: simulated anealling Rhonda Torres (Thu Jun 03 2004 - 13:05:58 CDT)
AMBER: sander7 on quad opteron Tru Huynh (Thu Jun 03 2004 - 13:13:39 CDT)
Re: AMBER: question about xleap jz7_at_duke.edu (Thu Jun 03 2004 - 13:34:03 CDT)
Re: AMBER: Loading mol2 Files in XLEaP Robyn Ayscue (Thu Jun 03 2004 - 13:39:37 CDT)
Re: AMBER: parallel Sander (amber8): run-time error under Irix Viktor Hornak (Thu Jun 03 2004 - 14:01:40 CDT)
Re: AMBER: parallel Sander (amber8): run-time error under Irix Karol Miaskiewicz (Thu Jun 03 2004 - 14:15:05 CDT)
Re: AMBER: Loading mol2 Files in XLEaP FyD (Thu Jun 03 2004 - 14:18:26 CDT)
RE: AMBER: question about xleap Ross Walker (Thu Jun 03 2004 - 14:19:55 CDT)
Re: AMBER: Loading mol2 Files in XLEaP Guanglei Cui (Thu Jun 03 2004 - 14:20:26 CDT)
RE: AMBER: question about xleap jz7_at_duke.edu (Thu Jun 03 2004 - 14:40:10 CDT)
AMBER: Amber7: Vidit Kumar (Thu Jun 03 2004 - 14:55:21 CDT)
Re: AMBER: Amber7: FyD (Thu Jun 03 2004 - 15:11:28 CDT)
AMBER: CARNAL- movement of an axis Wen Li (Thu Jun 03 2004 - 15:34:11 CDT)
Re: AMBER: Loading mol2 Files in XLEaP Bill Ross (Thu Jun 03 2004 - 15:44:39 CDT)
Re: AMBER: CARNAL- movement of an axis Bill Ross (Thu Jun 03 2004 - 15:53:47 CDT)
Re: AMBER: Sander & fix atoms bybaker_at_itsa.ucsf.edu (Thu Jun 03 2004 - 15:54:55 CDT)
Re: AMBER: Sander & fix atoms bybaker_at_itsa.ucsf.edu (Thu Jun 03 2004 - 15:59:50 CDT)
Re: AMBER: Sander & fix atoms Bill Ross (Thu Jun 03 2004 - 16:06:04 CDT)
Re: AMBER: Sander & fix atoms Viktor Hornak (Thu Jun 03 2004 - 16:14:10 CDT)
Re: AMBER: Loading mol2 Files in XLEaP Scott Brozell (Thu Jun 03 2004 - 16:49:13 CDT)
Re: AMBER: Loading mol2 Files in XLEaP David A. Case (Thu Jun 03 2004 - 17:02:07 CDT)
Re: AMBER: Sander & fix atoms bybaker_at_itsa.ucsf.edu (Thu Jun 03 2004 - 17:32:53 CDT)
Re: AMBER: Sander & fix atoms bybaker_at_itsa.ucsf.edu (Thu Jun 03 2004 - 17:36:24 CDT)
Re: AMBER: confusion about epsilon=4r for nmode calclation of nucleic acid David A. Case (Thu Jun 03 2004 - 21:31:06 CDT)
Re: AMBER: Simulated anealling David A. Case (Thu Jun 03 2004 - 21:34:17 CDT)
Re: AMBER: amber8 compile on Lemieux David A. Case (Thu Jun 03 2004 - 21:39:58 CDT)
Re: AMBER: confusion about epsilon=4r for nmode calclation of nucleic acid xiaowei li (Thu Jun 03 2004 - 21:52:16 CDT)
AMBER: information PROTON_INFO Ye Mei (Thu Jun 03 2004 - 22:33:30 CDT)
Re: AMBER: amber8 compile on Lemieux Guanglei Cui (Thu Jun 03 2004 - 22:56:13 CDT)
AMBER: why the enegy of native state of protein is high in GBSA calculation? J. Zhang, Dr (Fri Jun 04 2004 - 04:21:20 CDT)
Re: AMBER: Simulated anealling anshul_at_imtech.res.in (Fri Jun 04 2004 - 15:56:50 CDT)
Re: AMBER: why the enegy of native state of protein is high in GBSA calculation? Carlos Simmerling (Fri Jun 04 2004 - 06:52:40 CDT)
Re: AMBER: why the enegy of native state of protein is high in GBSA calculation? David A. Case (Fri Jun 04 2004 - 08:00:47 CDT)
Re: AMBER: why the enegy of native state of protein is high in GBSA calculation? Andreas Svrcek-Seiler (Fri Jun 04 2004 - 10:15:03 CDT)
AMBER: gibbs in amber8 A. Hungie (Fri Jun 04 2004 - 12:13:12 CDT)
AMBER: free energy A. Hungie (Fri Jun 04 2004 - 12:21:59 CDT)
Re: AMBER: Loading mol2 Files in XLEaP Robyn Ayscue (Fri Jun 04 2004 - 13:24:05 CDT)
Re: AMBER: free energy Oliver Hucke (Fri Jun 04 2004 - 14:19:25 CDT)
Re: Re: AMBER: why the enegy of native state of protein is high in GBSA calculation? J. Zhang, Dr (Sat Jun 05 2004 - 20:25:20 CDT)
Re: AMBER: gibbs in amber8 David A. Case (Sat Jun 05 2004 - 22:33:37 CDT)
AMBER: water BOX Xioling Chuang (Mon Jun 07 2004 - 09:09:33 CDT)
AMBER: CARNAL RMS Wen Li (Mon Jun 07 2004 - 10:25:28 CDT)
AMBER: question about building initial structure xhu1_at_memphis.edu (Mon Jun 07 2004 - 12:19:13 CDT)
AMBER: paramitrization problem lei jia (Mon Jun 07 2004 - 17:12:37 CDT)
RE: AMBER: paramitrization problem Ross Walker (Mon Jun 07 2004 - 17:24:15 CDT)
AMBER: bug in leap? Carsten Detering (Mon Jun 07 2004 - 18:14:30 CDT)
RE: AMBER: bug in leap? Ross Walker (Mon Jun 07 2004 - 18:50:10 CDT)
AMBER: unnatural base - RESP charges in ANTECHAMBER Dr. Rainer Glaser (Mon Jun 07 2004 - 19:12:56 CDT)
AMBER: Bad contacts bybaker_at_itsa.ucsf.edu (Mon Jun 07 2004 - 19:44:37 CDT)
Re: AMBER: unnatural base - RESP charges in ANTECHAMBER Junmei Wang (Mon Jun 07 2004 - 20:22:31 CDT)
Re: AMBER: Bad contacts Carlos Simmerling (Mon Jun 07 2004 - 20:26:19 CDT)
Re: AMBER: Bad contacts Bill Ross (Mon Jun 07 2004 - 20:37:16 CDT)
AMBER: Constant Pressure Problem of MD Nan Lin (Mon Jun 07 2004 - 21:04:23 CDT)
Re: AMBER: Constant Pressure Problem of MD David A. Case (Mon Jun 07 2004 - 21:12:41 CDT)
AMBER: Partial Charge on ligand for MD & MM/PBSA Nan Lin (Mon Jun 07 2004 - 21:11:25 CDT)
AMBER: old trajectory file (amber6) to new trajectory file ? Difei Wang (Mon Jun 07 2004 - 21:55:39 CDT)
Re: AMBER: Constant Pressure Problem of MD SIVA (Mon Jun 07 2004 - 22:53:39 CDT)
Re: AMBER: bug in leap? Tomas Kubar (Tue Jun 08 2004 - 02:27:30 CDT)
Re: AMBER: old trajectory file (amber6) to new trajectory file ? Carlos Simmerling (Tue Jun 08 2004 - 06:37:48 CDT)
AMBER: Calcium and GB cailliez (Tue Jun 08 2004 - 06:38:58 CDT)
RE: AMBER: paramitrization problem lei jia (Tue Jun 08 2004 - 10:00:11 CDT)
AMBER: Compile xleap (amber8) in linux Red Hat 8.0 Xiaobing Tian (Tue Jun 08 2004 - 11:00:06 CDT)
Re: AMBER: unnatural base - RESP charges in ANTECHAMBER FyD (Tue Jun 08 2004 - 11:23:46 CDT)
RE: AMBER: paramitrization problem Ross Walker (Tue Jun 08 2004 - 12:31:10 CDT)
Re: AMBER: Compile xleap (amber8) in linux Red Hat 8.0 Viktor Hornak (Tue Jun 08 2004 - 12:35:51 CDT)
Re: AMBER: paramitrization problem lei jia (Tue Jun 08 2004 - 12:45:02 CDT)
Re: AMBER: Compile xleap (amber8) in linux Red Hat 8.0 Scott Brozell (Tue Jun 08 2004 - 12:53:34 CDT)
Re: AMBER: segmentation fault when running parmchk Chutintorn Punwong (Tue Jun 08 2004 - 13:07:45 CDT)
Re: AMBER: Compile xleap (amber8) in linux Red Hat 8.0 Scott Brozell (Tue Jun 08 2004 - 13:11:15 CDT)
Re: AMBER: Compile xleap (amber8) in linux Red Hat 8.0 Xiaobing Tian (Tue Jun 08 2004 - 13:33:43 CDT)
Re: AMBER: segmentation fault when running parmchk Bill Ross (Tue Jun 08 2004 - 13:16:35 CDT)
Re: AMBER: Compile xleap (amber8) in linux Red Hat 8.0 Guanglei Cui (Tue Jun 08 2004 - 13:30:05 CDT)
Re: AMBER: Compile xleap (amber8) in linux Red Hat 8.0 Viktor Hornak (Tue Jun 08 2004 - 13:29:29 CDT)
Re: AMBER: Compile xleap (amber8) in linux Red Hat 8.0 Xiaobing Tian (Tue Jun 08 2004 - 14:21:39 CDT)
Re: AMBER: Compile xleap (amber8) in linux Red Hat 8.0 Viktor Hornak (Tue Jun 08 2004 - 14:30:38 CDT)
Re: AMBER: Compile xleap (amber8) in linux Red Hat 8.0 Guanglei Cui (Tue Jun 08 2004 - 14:45:56 CDT)
AMBER: Re: parallel Sander (amber8): run-time error under Irix Karol Miaskiewicz (Tue Jun 08 2004 - 15:04:14 CDT)
AMBER: Re: parallel Sander (amber8): run-time error under Irix Karol Miaskiewicz (Tue Jun 08 2004 - 15:30:38 CDT)
Re: AMBER: Simulated anealling anshul_at_imtech.res.in (Wed Jun 09 2004 - 09:41:56 CDT)
AMBER: antechamber Matheus Froeyen (Wed Jun 09 2004 - 02:39:26 CDT)
AMBER: cluster analysis Stefano.Pieraccini_at_unimi.it (Wed Jun 09 2004 - 06:19:40 CDT)
Re: AMBER: antechamber Guanglei Cui (Wed Jun 09 2004 - 09:05:02 CDT)
AMBER: How to neutralize system? scopio (Wed Jun 09 2004 - 09:47:44 CDT)
Re: AMBER: How to neutralize system? Marcin Krol (Wed Jun 09 2004 - 09:57:11 CDT)
Re: AMBER: How to neutralize system? Guanglei Cui (Wed Jun 09 2004 - 09:58:37 CDT)
Re: AMBER: cluster analysis Tim Meyer (Wed Jun 09 2004 - 08:28:15 CDT)
Re: AMBER: Bad contacts bybaker_at_itsa.ucsf.edu (Wed Jun 09 2004 - 12:02:01 CDT)
Re: AMBER: Bad contacts Carlos Simmerling (Wed Jun 09 2004 - 13:56:09 CDT)
AMBER: Amber Transition State Output Johnson Agbo (Wed Jun 09 2004 - 14:46:03 CDT)
AMBER: Trajectory file Joseph Nachman (Wed Jun 09 2004 - 14:22:45 CDT)
Re: AMBER: Trajectory file Guanglei Cui (Wed Jun 09 2004 - 15:27:16 CDT)
Re: AMBER: Bad contacts bybaker_at_itsa.ucsf.edu (Wed Jun 09 2004 - 15:30:38 CDT)
Re: AMBER: Trajectory file Bill Ross (Wed Jun 09 2004 - 16:19:36 CDT)
AMBER: xleap solvatebox problem Shan, Jufang (Wed Jun 09 2004 - 17:17:59 CDT)
AMBER: antechamber/parmchk ATTN: needs revision Nan Lin (Wed Jun 09 2004 - 13:48:55 CDT)
RE: AMBER: xleap solvatebox problem Ross Walker (Wed Jun 09 2004 - 17:48:12 CDT)
Re: AMBER: xleap solvatebox problem David A. Case (Wed Jun 09 2004 - 17:51:06 CDT)
Re: AMBER: xleap solvatebox problem James W. Caldwell (Wed Jun 09 2004 - 17:49:07 CDT)
Re: AMBER: Amber Transition State Output David A. Case (Wed Jun 09 2004 - 17:55:14 CDT)
Re: AMBER: Amber Transition State Output Johnson Agbo (Wed Jun 09 2004 - 19:33:58 CDT)
AMBER: Amber & mutation bybaker_at_itsa.ucsf.edu (Wed Jun 09 2004 - 19:53:58 CDT)
AMBER: nmode with mm/pbsa Nan Lin (Wed Jun 09 2004 - 20:18:15 CDT)
Re: AMBER: Amber Transition State Output David A. Case (Wed Jun 09 2004 - 20:54:23 CDT)
Re: AMBER: Calcium and GB David A. Case (Wed Jun 09 2004 - 21:10:26 CDT)
Re: AMBER: old trajectory file (amber6) to new trajectory file ? David A. Case (Wed Jun 09 2004 - 21:16:26 CDT)
AMBER: LINMIN failure Mizuguchi Mineyuki (Wed Jun 09 2004 - 21:40:16 CDT)
Re: AMBER: Amber & mutation Tim Meyer (Thu Jun 10 2004 - 00:14:11 CDT)
AMBER: Xleap YangPeng (Thu Jun 10 2004 - 03:49:02 CDT)
Re: AMBER: xleap solvatebox problem Tomas Kubar (Thu Jun 10 2004 - 03:58:51 CDT)
Re: AMBER: cluster analysis Sue Heavner (Thu Jun 10 2004 - 05:40:56 CDT)
Re: AMBER: LINMIN failure Robyn Ayscue (Thu Jun 10 2004 - 06:52:07 CDT)
AMBER: Compiling Amber8 on Mac OS X Robyn Ayscue (Thu Jun 10 2004 - 07:25:40 CDT)
AMBER: parmcal problem scopio (Thu Jun 10 2004 - 09:46:11 CDT)
AMBER: xleap solvatebox problem Shan, Jufang (Thu Jun 10 2004 - 09:49:25 CDT)
Re: AMBER: Amber & mutation bybaker_at_itsa.ucsf.edu (Thu Jun 10 2004 - 11:24:24 CDT)
RE: AMBER: LINMIN failure Ross Walker (Thu Jun 10 2004 - 12:10:08 CDT)
AMBER: PARSE radius for P david.evans_at_ulsop.ac.uk (Thu Jun 10 2004 - 12:59:30 CDT)
Re: AMBER: nmode with mm/pbsa Rhonda Torres (Thu Jun 10 2004 - 13:33:40 CDT)
AMBER: cluster MD conformations from sander Wen Li (Thu Jun 10 2004 - 14:13:14 CDT)
Re: AMBER: Thank you Xiaobing Tian (Thu Jun 10 2004 - 14:37:37 CDT)
Re: AMBER: Xleap Scott Brozell (Thu Jun 10 2004 - 15:36:25 CDT)
Re: AMBER: LINMIN failure Linda Prengaman (Thu Jun 10 2004 - 16:41:46 CDT)
Re: AMBER: Compiling Amber8 on Mac OS X Mengjuei Hsieh (Thu Jun 10 2004 - 16:11:24 CDT)
Re: AMBER: parmcal problem scopio (Thu Jun 10 2004 - 19:21:30 CDT)
AMBER: Core Dump ERROR When Using TIP4P Dat H. Nguyen (Thu Jun 10 2004 - 20:12:06 CDT)
AMBER: Checking Results? Linda Prengaman (Thu Jun 10 2004 - 20:49:33 CDT)
Re: AMBER: LINMIN failure Mizuguchi Mineyuki (Thu Jun 10 2004 - 21:58:24 CDT)
Re: AMBER: bug in leap? Scott Brozell (Thu Jun 10 2004 - 23:32:24 CDT)
Re: AMBER: Amber Transition State Output Johnson Agbo (Fri Jun 11 2004 - 00:28:05 CDT)
RE: AMBER: LINMIN failure Ross Walker (Fri Jun 11 2004 - 01:10:23 CDT)
Re: AMBER: cluster MD conformations from sander aldo jongejan (Fri Jun 11 2004 - 03:22:40 CDT)
AMBER: ifort -parallel Joachim Reichelt (Fri Jun 11 2004 - 04:15:58 CDT)
Re: AMBER: Core Dump ERROR When Using TIP4P David A. Case (Fri Jun 11 2004 - 09:08:18 CDT)
Re: AMBER: segmentation fault when running parmchk David A. Case (Fri Jun 11 2004 - 10:00:13 CDT)
RE: AMBER: questions on mm_pbsa Fang, Jianwen (Fri Jun 11 2004 - 09:59:18 CDT)
AMBER: savepdb vs ambpdb Golebiowski Jerome (Fri Jun 11 2004 - 10:17:40 CDT)
Re: AMBER: ifort -parallel Scott Brozell (Fri Jun 11 2004 - 10:36:36 CDT)
AMBER: PBCAL in mm-pbsa calculation nlxc (Fri Jun 11 2004 - 12:26:21 CDT)
Re: AMBER: PBCAL in mm-pbsa calculation Thomas Steinbrecher (Fri Jun 11 2004 - 13:00:17 CDT)
Re: AMBER: PBCAL in mm-pbsa calculation Thomas Steinbrecher (Fri Jun 11 2004 - 14:53:21 CDT)
Re: AMBER: Compiling Amber8 on Mac OS X Yusuf Abdulghani (Fri Jun 11 2004 - 17:14:12 CDT)
Re: AMBER: parmcal problem David A. Case (Fri Jun 11 2004 - 17:37:53 CDT)
Re: AMBER: Compiling Amber8 on Mac OS X Mengjuei Hsieh (Fri Jun 11 2004 - 17:59:14 CDT)
AMBER: Suface area parameter for fluorine in MM/PBSA nlxc (Fri Jun 11 2004 - 18:38:30 CDT)
AMBER: POPE membrane, How to obtain prep and parm files? Marek Dynowski (Sat Jun 12 2004 - 12:07:08 CDT)
Re: AMBER: Suface area parameter for fluorine in MM/PBSA Scott Brozell (Sun Jun 13 2004 - 03:05:02 CDT)
AMBER: question about force field scopio (Mon Jun 14 2004 - 10:05:57 CDT)
Re: AMBER: question about force field Carlos Simmerling (Mon Jun 14 2004 - 11:14:18 CDT)
Re: AMBER: Compiling Amber8 on Mac OS X Robyn Ayscue (Mon Jun 14 2004 - 13:39:27 CDT)
Re: AMBER: Compiling Amber8 on Mac OS X Robyn Ayscue (Mon Jun 14 2004 - 13:41:15 CDT)
AMBER: Improper Torsional Parameters Johnson Agbo (Mon Jun 14 2004 - 15:41:12 CDT)
Re: AMBER: Improper Torsional Parameters David A. Case (Mon Jun 14 2004 - 16:20:21 CDT)
Re: AMBER: Improper Torsional Parameters Carlos Simmerling (Mon Jun 14 2004 - 16:54:57 CDT)
AMBER: Config file for installing Amber 8 on PC with Windows XP fangyu liang (Mon Jun 14 2004 - 18:21:07 CDT)
Re: AMBER: Config file for installing Amber 8 on PC with Windows XP David A. Case (Mon Jun 14 2004 - 20:01:57 CDT)
AMBER: About umbrella sampling in Amber 8 Yuhui Cheng (Mon Jun 14 2004 - 20:45:44 CDT)
AMBER: MOIL-View question Joseph Nachman (Tue Jun 15 2004 - 13:11:30 CDT)
AMBER: RMSD calculations in ptraj and Carnal Joseph Nachman (Tue Jun 15 2004 - 13:24:38 CDT)
AMBER: DENSITY in constant pressure MD nlxc (Tue Jun 15 2004 - 13:17:41 CDT)
Re: AMBER: RMSD calculations in ptraj and Carnal Bill Ross (Tue Jun 15 2004 - 14:23:40 CDT)
Re: AMBER: RMSD calculations in ptraj and Carnal Joseph Nachman (Tue Jun 15 2004 - 14:37:18 CDT)
Re: AMBER: About umbrella sampling in Amber 8 David A. Case (Tue Jun 15 2004 - 11:05:59 CDT)
Re: AMBER: RMSD calculations in ptraj and Carnal Thomas E. Cheatham, III (Tue Jun 15 2004 - 15:06:38 CDT)
Re: AMBER: RMSD calculations in ptraj and Carnal Bill Ross (Tue Jun 15 2004 - 15:55:31 CDT)
Re: AMBER: Core Dump ERROR When Using TIP4P Dat H. Nguyen (Tue Jun 15 2004 - 16:21:28 CDT)
AMBER: The parallel problem for umbrella sampling in Amber 8 Yuhui Cheng (Tue Jun 15 2004 - 16:14:07 CDT)
Re: AMBER: Core Dump ERROR When Using TIP4P David A. Case (Tue Jun 15 2004 - 17:28:36 CDT)
Re: AMBER: The parallel problem for umbrella sampling in Amber 8 David A. Case (Tue Jun 15 2004 - 17:55:20 CDT)
Re: AMBER: DENSITY in constant pressure MD David A. Case (Tue Jun 15 2004 - 17:50:57 CDT)
Re: AMBER: RMSD calculations in ptraj and Carnal Luis Gracia (Tue Jun 15 2004 - 19:19:53 CDT)
Re: AMBER: MOIL-View question Carlos Simmerling (Wed Jun 16 2004 - 06:57:27 CDT)
AMBER: binary files richard dimelow (Wed Jun 16 2004 - 08:29:48 CDT)
AMBER: Trouble running molecular dynamics with an increase in temp in Sander Robyn Ayscue (Wed Jun 16 2004 - 08:43:05 CDT)
Re: AMBER: Trouble running molecular dynamics with an increase in temp in Sander David A. Case (Wed Jun 16 2004 - 09:40:32 CDT)
Re: AMBER: binary files David A. Case (Wed Jun 16 2004 - 09:44:39 CDT)
Re: AMBER: Trouble running molecular dynamics with an increase in temp in Sander Carlos Simmerling (Wed Jun 16 2004 - 09:42:33 CDT)
Re: AMBER: Trouble running molecular dynamics with an increase in temp in Sander Andreas Svrcek-Seiler (Wed Jun 16 2004 - 09:58:33 CDT)
Re: AMBER: Trouble running molecular dynamics with an increase in temp in Sander Carlos Simmerling (Wed Jun 16 2004 - 10:15:20 CDT)
AMBER: problems with extra points German Sciaini (Wed Jun 16 2004 - 11:29:45 CDT)
Re: AMBER: problems with extra points David A. Case (Wed Jun 16 2004 - 13:50:05 CDT)
Re: AMBER: MOIL-View question Joseph Nachman (Wed Jun 16 2004 - 14:35:17 CDT)
Re: AMBER: MOIL-View question Carlos Simmerling (Wed Jun 16 2004 - 15:25:45 CDT)
Re: AMBER: RMSD calculations in ptraj and Carnal Joseph Nachman (Wed Jun 16 2004 - 15:16:52 CDT)
Re: AMBER: MOIL-View question Joseph Nachman (Wed Jun 16 2004 - 15:22:07 CDT)
AMBER: Nmode sebnem (Wed Jun 16 2004 - 18:47:18 CDT)
Re: AMBER: Nmode David A. Case (Wed Jun 16 2004 - 23:20:10 CDT)
Re: AMBER: Nmode sebnem (Thu Jun 17 2004 - 00:30:54 CDT)
Re: AMBER: MOIL-View question David E. Konerding DSD Staff (Wed Jun 16 2004 - 17:30:47 CDT)
Re: AMBER: Nmode David A. Case (Thu Jun 17 2004 - 10:14:26 CDT)
Re: AMBER: Trouble running molecular dynamics with an increase in temp in Sander Robyn Ayscue (Thu Jun 17 2004 - 10:35:34 CDT)
AMBER: Z-DNA xiaowei li (Thu Jun 17 2004 - 13:43:13 CDT)
Re: AMBER: Z-DNA Bill Ross (Thu Jun 17 2004 - 15:00:55 CDT)
Re: AMBER: Improper Torsional Parameters Johnson Agbo (Thu Jun 17 2004 - 15:57:08 CDT)
Re: AMBER: problems with extra points German Sciaini (Fri Jun 18 2004 - 06:08:18 CDT)
AMBER: Using gibbs to calculate free energy Xioling Chuang (Fri Jun 18 2004 - 08:15:31 CDT)
Re: AMBER: Using gibbs to calculate free energy David A. Case (Fri Jun 18 2004 - 10:14:55 CDT)
AMBER: Deeper problem with the energetics of the system nlxc (Fri Jun 18 2004 - 12:56:52 CDT)
AMBER: The first and second derivatives Johnson Agbo (Fri Jun 18 2004 - 13:08:49 CDT)
Re: AMBER: The first and second derivatives David A. Case (Fri Jun 18 2004 - 13:18:34 CDT)
Re: AMBER: Deeper problem with the energetics of the system David A. Case (Fri Jun 18 2004 - 13:20:20 CDT)
AMBER: Could not assign parameters Sivanesan Dakshanamurthy (Fri Jun 18 2004 - 13:52:18 CDT)
Re: AMBER: Could not assign parameters David A. Case (Fri Jun 18 2004 - 14:04:57 CDT)
Re: AMBER: The first and second derivatives Johnson Agbo (Fri Jun 18 2004 - 14:05:25 CDT)
AMBER: Changing MAXPR in Amber 8? Robyn Ayscue (Fri Jun 18 2004 - 14:08:13 CDT)
RE: AMBER: Changing MAXPR in Amber 8? Ross Walker (Fri Jun 18 2004 - 14:23:33 CDT)
Re: AMBER: Could not assign parameters Sivanesan Dakshanamurthy (Fri Jun 18 2004 - 14:35:32 CDT)
RE: AMBER: Changing MAXPR in Amber 8? Robyn Ayscue (Fri Jun 18 2004 - 15:03:06 CDT)
Re: AMBER: The first and second derivatives David A. Case (Fri Jun 18 2004 - 15:25:29 CDT)
Re: AMBER: Changing MAXPR in Amber 8? David A. Case (Fri Jun 18 2004 - 15:34:43 CDT)
Re: AMBER: The first and second derivatives Bill Ross (Fri Jun 18 2004 - 16:02:22 CDT)
Re: AMBER: The first and second derivatives Johnson Agbo (Fri Jun 18 2004 - 16:31:15 CDT)
AMBER: leap.log warnings scopio (Sun Jun 20 2004 - 20:18:40 CDT)
Re: AMBER: leap.log warnings Bill Ross (Sun Jun 20 2004 - 21:52:17 CDT)
Re: AMBER: PBCAL in mm-pbsa calculation Kazuo Koyano (Mon Jun 21 2004 - 01:14:56 CDT)
Re: AMBER: all_amino03.in discrepancy Vojtech Klusak (Mon Jun 21 2004 - 04:36:09 CDT)
AMBER: solvate proteins in xleap/amber8 Ting Wang (Mon Jun 21 2004 - 08:20:03 CDT)
AMBER: TOP file in AMBER7/8 Ting Wang (Mon Jun 21 2004 - 08:32:25 CDT)
Re: AMBER: TOP file in AMBER7/8 Carlos Simmerling (Mon Jun 21 2004 - 08:52:38 CDT)
Re: AMBER: solvate proteins in xleap/amber8 David A. Case (Mon Jun 21 2004 - 10:42:47 CDT)
Re: AMBER: leap.log warnings David A. Case (Mon Jun 21 2004 - 10:43:07 CDT)
AMBER: nmanal problem Ben Cossins (Mon Jun 21 2004 - 10:45:20 CDT)
Re: AMBER: nmanal problem David A. Case (Mon Jun 21 2004 - 10:51:59 CDT)
Re: AMBER: RMSD calculations in ptraj and Carnal Joseph Nachman (Mon Jun 21 2004 - 10:07:57 CDT)
Re: AMBER: all_amino03.in discrepancy Dr. Yong Duan (Mon Jun 21 2004 - 11:41:03 CDT)
AMBER: Opteron-64bit work station sachin patil (Mon Jun 21 2004 - 11:18:16 CDT)
Re: AMBER: Opteron-64bit work station ian gould (Mon Jun 21 2004 - 11:34:33 CDT)
Re: AMBER: nmanal problem Ben Cossins (Mon Jun 21 2004 - 11:40:50 CDT)
Re: AMBER: leap.log warnings Bill Ross (Mon Jun 21 2004 - 12:40:13 CDT)
Re: AMBER: leap.log warnings Bill Ross (Mon Jun 21 2004 - 14:25:35 CDT)
AMBER: newer OPLS/AA? Sichun Yang (Mon Jun 21 2004 - 18:23:03 CDT)
Re: AMBER: solvate proteins in xleap/amber8 Tomas Kubar (Tue Jun 22 2004 - 02:44:54 CDT)
Re: AMBER: leap.log warnings German Sciaini (Tue Jun 22 2004 - 05:50:01 CDT)
AMBER: High B-factor!! Pradipta Bandyopadhyay (Tue Jun 22 2004 - 07:13:09 CDT)
AMBER: MD & running time bybaker_at_itsa.ucsf.edu (Tue Jun 22 2004 - 13:11:58 CDT)
Re: AMBER: MD & running time Linda Prengaman (Tue Jun 22 2004 - 14:12:00 CDT)
AMBER: Problems in Amber MPI version (64 bits machine) Haijun Yang (Tue Jun 22 2004 - 16:57:07 CDT)
AMBER: problems to run ptraj German Sciaini (Tue Jun 22 2004 - 17:29:36 CDT)
Thanks - Re: AMBER: MD & running time bybaker_at_itsa.ucsf.edu (Tue Jun 22 2004 - 18:29:09 CDT)
Re: AMBER: Problems in Amber MPI version (64 bits machine) David A. Case (Tue Jun 22 2004 - 19:31:25 CDT)
Re: AMBER: leap.log warnings scopio (Tue Jun 22 2004 - 19:54:37 CDT)
Re: AMBER: MD & running time Bill Ross (Tue Jun 22 2004 - 20:48:03 CDT)
RE: AMBER: MD & running time Ross Walker (Tue Jun 22 2004 - 22:51:28 CDT)
Re: AMBER: MD & running time bybaker_at_itsa.ucsf.edu (Tue Jun 22 2004 - 23:29:58 CDT)
AMBER: GB parameters for Calcium cailliez (Wed Jun 23 2004 - 07:39:38 CDT)
AMBER: Box range in vacuum when restart MD scopio (Wed Jun 23 2004 - 08:22:31 CDT)
AMBER: a question on MM-PBSA and Delphi Jiayun (Wed Jun 23 2004 - 08:34:31 CDT)
Re: AMBER: a question on MM-PBSA and Delphi Thomas Steinbrecher (Wed Jun 23 2004 - 10:13:48 CDT)
Re: AMBER: Box range in vacuum when restart MD David A. Case (Wed Jun 23 2004 - 11:06:29 CDT)
Re: AMBER: Problems in Amber MPI version (64 bits machine) Haijun Yang (Wed Jun 23 2004 - 12:33:49 CDT)
RE: AMBER: a question on MM-PBSA and Delphi Jiayun (Wed Jun 23 2004 - 13:00:17 CDT)
Re: AMBER: Problems in Amber MPI version (64 bits machine) David A. Case (Wed Jun 23 2004 - 12:58:07 CDT)
RE: AMBER: a question on MM-PBSA and Delphi Thomas Steinbrecher (Wed Jun 23 2004 - 13:09:16 CDT)
Re: AMBER: GB parameters for Calcium David A. Case (Wed Jun 23 2004 - 13:10:23 CDT)
RE: AMBER: MD & running time Kristina Furse (Wed Jun 23 2004 - 14:53:13 CDT)
Re: AMBER: MD & running time David A. Case (Wed Jun 23 2004 - 16:02:45 CDT)
Re: AMBER: MD & running time Robert Duke (Wed Jun 23 2004 - 17:25:27 CDT)
AMBER: amber8 parallel jobs spookie (Wed Jun 23 2004 - 23:50:48 CDT)
Re: AMBER: amber8 parallel jobs Carlos Simmerling (Thu Jun 24 2004 - 07:17:05 CDT)
AMBER: AMBER7 : update force field gaff.dat and parm99.dat Guillaume Bollot (Thu Jun 24 2004 - 07:48:39 CDT)
AMBER: AMBER7 update force field Guillaume Bollot (Thu Jun 24 2004 - 08:23:44 CDT)
AMBER: Restrain or freeze molecule question? Guillaume Bollot (Thu Jun 24 2004 - 05:48:33 CDT)
Re: AMBER: Restrain or freeze molecule question? David A. Case (Thu Jun 24 2004 - 10:24:37 CDT)
Re: AMBER: Restrain or freeze molecule question? Carlos Simmerling (Thu Jun 24 2004 - 10:39:58 CDT)
RE: AMBER: Restrain or freeze molecule question? Junmei Wang (Thu Jun 24 2004 - 12:44:03 CDT)
AMBER: A problem about a sander parallel run Yongzhi Chen (Thu Jun 24 2004 - 13:40:37 CDT)
AMBER: Units of Charges on Atoms Johnson Agbo (Thu Jun 24 2004 - 14:22:49 CDT)
Re: AMBER: Units of Charges on Atoms Tomas Kubar (Thu Jun 24 2004 - 14:48:36 CDT)
Re: AMBER: Units of Charges on Atoms Carlos Simmerling (Thu Jun 24 2004 - 14:49:43 CDT)
AMBER: Amber 8 installation fangyu liang (Thu Jun 24 2004 - 17:24:43 CDT)
RE: AMBER: Amber 8 installation Ross Walker (Thu Jun 24 2004 - 17:38:57 CDT)
Re: AMBER: Amber 8 installation spookie (Thu Jun 24 2004 - 17:42:40 CDT)
AMBER: Born radii Marcin Krol (Fri Jun 25 2004 - 06:24:48 CDT)
Re: AMBER: amber8 parallel jobs spookie (Fri Jun 25 2004 - 08:42:09 CDT)
Re: RE: AMBER: Amber 8 installation David A. Case (Fri Jun 25 2004 - 10:33:30 CDT)
Re: AMBER: Born radii David A. Case (Fri Jun 25 2004 - 10:36:20 CDT)
AMBER: sander in parallel, amber8 spookie (Fri Jun 25 2004 - 03:49:30 CDT)
AMBER: Problems with X.R.E.D. Scott (Fri Jun 25 2004 - 10:49:24 CDT)
AMBER: restraints error Venkata S Koppuravuri (Fri Jun 25 2004 - 12:10:35 CDT)
RE: RE: AMBER: Amber 8 installation Ross Walker (Fri Jun 25 2004 - 12:27:23 CDT)
Re: AMBER: restraints error Carlos Simmerling (Fri Jun 25 2004 - 12:23:26 CDT)
Re: AMBER: restraints error David A. Case (Fri Jun 25 2004 - 12:32:48 CDT)
Re: AMBER: Problems with X.R.E.D. FyD (Fri Jun 25 2004 - 12:20:30 CDT)
RE: AMBER: Amber 8 installation fangyu liang (Fri Jun 25 2004 - 13:03:06 CDT)
RE: AMBER: Amber 8 installation spookie (Fri Jun 25 2004 - 13:08:21 CDT)
Re: AMBER: amber8 parallel jobs spookie (Fri Jun 25 2004 - 13:05:23 CDT)
Re: AMBER: restraints error Venkata S Koppuravuri (Fri Jun 25 2004 - 13:11:20 CDT)
Re: AMBER: sander in parallel, amber8 Stef (Fri Jun 25 2004 - 13:11:09 CDT)
Re: AMBER: restraints error Carlos Simmerling (Fri Jun 25 2004 - 13:19:34 CDT)
Re: AMBER: sander in parallel, amber8 spookie (Fri Jun 25 2004 - 13:26:58 CDT)
Re: AMBER: Amber 8 installation David A. Case (Fri Jun 25 2004 - 14:15:50 CDT)
AMBER: PBCAL in MM/PBSA nlxc (Fri Jun 25 2004 - 14:09:19 CDT)
Re: AMBER: restraints error David A. Case (Fri Jun 25 2004 - 14:26:56 CDT)
Re: AMBER: PBCAL in MM/PBSA Thomas Steinbrecher (Fri Jun 25 2004 - 14:37:07 CDT)
AMBER: octavalent metal Brent Krueger (Fri Jun 25 2004 - 16:17:01 CDT)
AMBER: Problem with menu bar in LEAP Cenk Andac (Fri Jun 25 2004 - 16:54:47 CDT)
Re: AMBER: Problem with menu bar in LEAP Dat H. Nguyen (Fri Jun 25 2004 - 17:09:00 CDT)
RE: AMBER: Problem with menu bar in LEAP Ross Walker (Fri Jun 25 2004 - 17:12:13 CDT)
AMBER: -p4pg problem spookie (Sat Jun 26 2004 - 03:34:40 CDT)
Re: AMBER: -p4pg problem Lubos Vrbka (Sat Jun 26 2004 - 05:59:53 CDT)
Re: AMBER: -p4pg problem spookie (Sat Jun 26 2004 - 09:00:48 CDT)
Re: AMBER: -p4pg problem Lubos Vrbka (Sat Jun 26 2004 - 09:42:55 CDT)
AMBER: AMBPDB command requires libcxa.so.5 Cenk Andac (Sat Jun 26 2004 - 10:16:52 CDT)
Re: AMBER: -p4pg problem David A. Case (Sat Jun 26 2004 - 13:54:03 CDT)
Re: AMBER: AMBPDB command requires libcxa.so.5 David A. Case (Sat Jun 26 2004 - 13:56:09 CDT)
Re: AMBER: -p4pg problem spookie (Sun Jun 27 2004 - 00:19:33 CDT)
AMBER: "Total vdw box size" information is gone Helios Chen (Sun Jun 27 2004 - 02:57:50 CDT)
Re: AMBER: Problem with menu bar in LEAP sachin patil (Sun Jun 27 2004 - 12:01:30 CDT)
Re: AMBER: "Total vdw box size" information is gone David A. Case (Sun Jun 27 2004 - 16:03:39 CDT)
AMBER: (no subject) Andrew Box (Sun Jun 27 2004 - 22:29:34 CDT)
Re: AMBER: (no subject) David A. Case (Mon Jun 28 2004 - 01:12:26 CDT)
Re: AMBER: free energy Kazuo Koyano (Mon Jun 28 2004 - 03:45:41 CDT)
AMBER: problem not with sander, but with mpich spookie (Mon Jun 28 2004 - 04:08:37 CDT)
AMBER: Amber8 compilation in IBM-AIX Jiten (Mon Jun 28 2004 - 04:19:42 CDT)
Re: AMBER: Amber8 compilation in IBM-AIX Nicolas Grima (Mon Jun 28 2004 - 05:55:59 CDT)
AMBER: NEC and Regatta Filip Lankas (Mon Jun 28 2004 - 06:47:26 CDT)
Re: AMBER: NEC and Regatta Robert Duke (Mon Jun 28 2004 - 07:18:24 CDT)
Re: AMBER: NEC and Regatta Robert Duke (Mon Jun 28 2004 - 07:38:27 CDT)
Re: AMBER: problem not with sander, but with mpich Viktor Hornak (Mon Jun 28 2004 - 07:48:51 CDT)
Re: AMBER: free energy Carlos Simmerling (Mon Jun 28 2004 - 08:06:43 CDT)
AMBER: jump in temperature + problem in trajectory files cailliez (Mon Jun 28 2004 - 09:11:14 CDT)
Re: AMBER: "Total vdw box size" information is gone Jiten (Mon Jun 28 2004 - 09:45:39 CDT)
Re: AMBER: Amber8 compilation in IBM-AIX Jiten (Mon Jun 28 2004 - 09:39:02 CDT)
AMBER: question about building prmtop and inpcrd files in xleap jz7_at_duke.edu (Mon Jun 28 2004 - 09:49:39 CDT)
Re: AMBER: AMBPDB command requires libcxa.so.5 Amber admin (Mon Jun 28 2004 - 10:12:45 CDT)
Re: AMBER: Amber8 compilation in IBM-AIX Nicolas Grima (Mon Jun 28 2004 - 10:13:32 CDT)
AMBER: Octahedron Box Seonah Kim (Mon Jun 28 2004 - 10:30:34 CDT)
Re: AMBER: Octahedron Box Carlos Simmerling (Mon Jun 28 2004 - 10:43:21 CDT)
Re: AMBER: Amber8 compilation in IBM-AIX David A. Case (Mon Jun 28 2004 - 10:42:20 CDT)
Re: AMBER: question about building prmtop and inpcrd files in xleap David A. Case (Mon Jun 28 2004 - 11:02:37 CDT)
AMBER: question about water molecule jz7_at_duke.edu (Mon Jun 28 2004 - 12:34:19 CDT)
Re: AMBER: question about water molecule Carlos Simmerling (Mon Jun 28 2004 - 12:48:11 CDT)
AMBER: About TI with sander Chunhu Tan (Mon Jun 28 2004 - 14:35:54 CDT)
Re: AMBER: About TI with sander Guanglei Cui (Mon Jun 28 2004 - 14:46:52 CDT)
Re: AMBER: Amber8 compilation in IBM-AIX Jiten (Mon Jun 28 2004 - 19:48:25 CDT)
AMBER: Amber 8 installation error fangyu liang (Tue Jun 29 2004 - 02:00:32 CDT)
RE: AMBER: a question on MM-PBSA and Delphi Jiayun (Tue Jun 29 2004 - 04:54:46 CDT)
AMBER: Test run error in amber8 : IBM-AIX Jiten (Tue Jun 29 2004 - 07:16:48 CDT)
AMBER: image and restart problems Steve Seibold (Tue Jun 29 2004 - 07:56:52 CDT)
Re: AMBER: image and restart problems Andy Purkiss (Tue Jun 29 2004 - 08:05:48 CDT)
Re: AMBER: Amber 8 installation error David A. Case (Tue Jun 29 2004 - 09:56:53 CDT)
Re: AMBER: image and restart problems Carlos Simmerling (Tue Jun 29 2004 - 09:57:42 CDT)
Re: AMBER: Test run error in amber8 : IBM-AIX David A. Case (Tue Jun 29 2004 - 10:00:58 CDT)
Re: AMBER: About TI with sander David A. Case (Tue Jun 29 2004 - 11:45:52 CDT)
AMBER: Question about dummy atoms Sébastien Osborne (Tue Jun 29 2004 - 12:16:30 CDT)
Re: AMBER: Question about dummy atoms David A. Case (Tue Jun 29 2004 - 12:24:56 CDT)
AMBER: PBCAL in mmpbsa nlxc (Tue Jun 29 2004 - 13:17:25 CDT)
AMBER: Atom Labels Karl N. Kirschner (Tue Jun 29 2004 - 15:36:22 CDT)
Re: AMBER: PBCAL in mmpbsa Thomas Steinbrecher (Tue Jun 29 2004 - 15:50:43 CDT)
Re: AMBER: Atom Labels Viktor Hornak (Tue Jun 29 2004 - 15:53:41 CDT)
Re: AMBER: Atom Labels David A. Case (Tue Jun 29 2004 - 15:54:37 CDT)
Re: AMBER: Amber 8 installation error fangyu liang (Tue Jun 29 2004 - 17:31:28 CDT)
Re: AMBER: Amber 8 installation error fangyu liang (Tue Jun 29 2004 - 17:52:29 CDT)
RE: AMBER: Amber 8 installation error Ross Walker (Tue Jun 29 2004 - 18:08:21 CDT)
Re: AMBER: Amber 8 installation error David A. Case (Tue Jun 29 2004 - 18:55:18 CDT)
Re: AMBER: PBCAL in mmpbsa nlxc (Tue Jun 29 2004 - 19:29:51 CDT)
Re: AMBER: Test run error in amber8 : IBM-AIX Jiten (Tue Jun 29 2004 - 20:19:43 CDT)
AMBER: Amber8 compilation problems on AIX Gabbar Daaku (Tue Jun 29 2004 - 21:50:13 CDT)
AMBER: problems in using glycam Wen-Chi Tseng (Wed Jun 30 2004 - 06:12:22 CDT)
Re: AMBER: Amber8 compilation problems on AIX Nicolas Grima (Wed Jun 30 2004 - 02:12:19 CDT)
AMBER: GB+LES Marcin Krol (Wed Jun 30 2004 - 04:43:27 CDT)
AMBER: About Hbond calculations using ptraj javier perez (Mon Jun 28 2004 - 12:43:37 CDT)
Re: AMBER: Atom Labels German Sciaini (Wed Jun 30 2004 - 06:36:14 CDT)
Re: AMBER: GB+LES Carlos Simmerling (Wed Jun 30 2004 - 06:26:59 CDT)
Re: AMBER: problems in using glycam David A. Case (Wed Jun 30 2004 - 10:03:07 CDT)
AMBER: Problems with processing SYBYL-Tripos pdb files in LEAP Cenk Andac (Wed Jun 30 2004 - 10:14:18 CDT)
AMBER: Problems with processing SYBYL-Tripos pdb files in LEAP Cenk Andac (Wed Jun 30 2004 - 10:12:10 CDT)
Re: AMBER: problems in using glycam Karl N. Kirschner (Wed Jun 30 2004 - 10:29:37 CDT)
Re: AMBER: Problems with processing SYBYL-Tripos pdb files in LEAP David A. Case (Wed Jun 30 2004 - 12:50:41 CDT)
Re: AMBER: About Hbond calculations using ptraj Thomas E. Cheatham, III (Wed Jun 30 2004 - 13:11:05 CDT)
AMBER: traj. analysis Grace Li (Wed Jun 30 2004 - 14:05:07 CDT)
Re: AMBER: traj. analysis Carlos Simmerling (Wed Jun 30 2004 - 14:08:50 CDT)
AMBER: N-terminal Arg charges in ff99 not 1.00 Michael Dolan (Wed Jun 30 2004 - 16:08:15 CDT)
Re: AMBER: N-terminal Arg charges in ff99 not 1.00 Guanglei Cui (Wed Jun 30 2004 - 16:13:55 CDT)
RE: AMBER: N-terminal Arg charges in ff99 not 1.00 Ross Walker (Wed Jun 30 2004 - 16:26:22 CDT)
Re: AMBER: traj. analysis Joseph Nachman (Wed Jun 30 2004 - 16:44:43 CDT)
AMBER: Questions about pert.charge and atom type change. Chunhu Tan (Wed Jun 30 2004 - 19:20:38 CDT)
Re: AMBER: Questions about pert.charge and atom type change. Guanglei Cui (Wed Jun 30 2004 - 19:54:28 CDT)
Re: AMBER: Questions about pert.charge and atom type change. David A. Case (Wed Jun 30 2004 - 20:10:02 CDT)
Re: RE: AMBER: Amber 8 installation fangyu liang (Fri Jun 25 2004 - 02:34:45 CDT)

Last message date: Thu May 05 2005 - 14:26:38 CDT
Archived on: Thu May 05 2005 - 14:30:01 CDT

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