Amber Archive Jun 2003 By Thread
- Re: information David A. Case (Sun Jun 01 2003 - 17:14:29 PDT)
- Re: IR6 and makeDIST-RST David A. Case (Sun Jun 01 2003 - 17:14:04 PDT)
- Re: antechamber read gaussian file David A. Case (Sun Jun 01 2003 - 17:18:54 PDT)
- HGH, IGF-1 Supply fsdjklfdsf.ddhdf.com (Sun Jun 01 2003 - 18:09:08 PDT)
- HGH, IGF-1 Supply fsdjklfdsf.ddhdf.com (Sun Jun 01 2003 - 23:20:52 PDT)
- EGB problem in MMPBSA Obdulia Rabal (Mon Jun 02 2003 - 04:11:45 PDT)
- Need help recompiling Peter Anderson (Mon Jun 02 2003 - 07:23:11 PDT)
- Re: Need help recompiling caldwell.heimdal.compchem.ucsf.edu (Mon Jun 02 2003 - 08:14:06 PDT)
- Install Amber7 in linux cluster Wen Li (Mon Jun 02 2003 - 07:20:51 PDT)
- Re: Install Amber7 in linux cluster Viktor Hornak (Mon Jun 02 2003 - 08:11:10 PDT)
- run sander? quch quch (Mon Jun 02 2003 - 09:22:35 PDT)
- Re: run sander? David A. Case (Mon Jun 02 2003 - 10:52:00 PDT)
- Re: run sander? quch quch (Mon Jun 02 2003 - 11:52:22 PDT)
- Re: run sander? Michael Crowley (Tue Jun 03 2003 - 05:42:53 PDT)
- Re: run sander? quch quch (Mon Jun 02 2003 - 11:52:22 PDT)
- Re: run sander? David A. Case (Mon Jun 02 2003 - 10:52:00 PDT)
- pol_h Giulio Rastelli (Tue Jun 03 2003 - 09:34:23 PDT)
- Re: pol_h David A. Case (Tue Jun 03 2003 - 09:26:41 PDT)
- MGB RADII PARAMETRIZATION Obdulia Rabal (Tue Jun 03 2003 - 04:08:15 PDT)
- Mg++ polarizability Robert Duke (Tue Jun 03 2003 - 04:39:25 PDT)
- Nancy's leaving caldwell.heimdal.compchem.ucsf.edu (Tue Jun 03 2003 - 19:42:00 PDT)
- solventbox at constant pressure Petrodler.aol.com (Wed Jun 04 2003 - 00:19:05 PDT)
- Re: solventbox at constant pressure David A. Case (Wed Jun 04 2003 - 08:13:37 PDT)
- angle violation in SANDER simulation XU Xingfu (Wed Jun 04 2003 - 02:11:24 PDT)
- Re: angle violation in SANDER simulation David A. Case (Wed Jun 04 2003 - 08:17:32 PDT)
- keeping pdb residues numbers ? GUILBAUD Philippe 153683 (Wed Jun 04 2003 - 05:48:50 PDT)
- Re: keeping pdb residues numbers ? David A. Case (Wed Jun 04 2003 - 10:40:08 PDT)
- belly vs. position restraints Peter Anderson (Wed Jun 04 2003 - 07:17:05 PDT)
- Re: belly vs. position restraints David A. Case (Wed Jun 04 2003 - 08:57:02 PDT)
- RDPARM problems (ptraj) Sophia Kondratova (Thu Jun 05 2003 - 10:13:35 PDT)
- PROBLEM WITH LIBRARY Frederico.Miranda.ibmb.uib.no (Thu Jun 05 2003 - 13:06:27 PDT)
- constant volume Shuang Ding (Thu Jun 05 2003 - 15:26:39 PDT)
- Re: constant volume David A. Case (Fri Jun 06 2003 - 15:48:16 PDT)
- unit of output velocity Yuguang Mu (Fri Jun 06 2003 - 08:33:01 PDT)
- Re: unit of output velocity Holger Gohlke (Fri Jun 06 2003 - 08:46:38 PDT)
- Re: unit of output velocity Satish Kumar (Fri Jun 06 2003 - 09:25:58 PDT)
- Re: unit of output velocity Satish Mummadi (Fri Jun 06 2003 - 09:39:45 PDT)
- Re: unit of output velocity Andreas Svrcek-Seiler (Fri Jun 06 2003 - 09:49:32 PDT)
- Q) vdw radii & GBSA error Sukjoon Yoon (Fri Jun 06 2003 - 09:58:03 PDT)
- how to use profec??? sxzheng (Sun Jun 08 2003 - 01:04:09 PDT)
- mm_pbsa error message chernhoe (Sun Jun 08 2003 - 02:48:02 PDT)
- Re: mm_pbsa error message Holger Gohlke (Sun Jun 08 2003 - 09:19:24 PDT)
- Amber Installation on Octane Joseph Maxwell (Sun Jun 08 2003 - 14:55:55 PDT)
- VdW in FEP ENikitina (Mon Jun 09 2003 - 00:06:49 PDT)
- Re: VdW in FEP David A. Case (Mon Jun 09 2003 - 08:05:58 PDT)
- Re: VdW in FEP ENikitina (Tue Jun 10 2003 - 04:56:23 PDT)
- VdW in FEP ENikitina (Wed Jun 18 2003 - 07:02:14 PDT)
- Re: VdW in FEP David A. Case (Mon Jun 09 2003 - 08:05:58 PDT)
- May I get you help from new user of amber? Wu Yingliang (Mon Jun 09 2003 - 07:21:49 PDT)
- Re: May I get you help from new user of amber? Guanglei Cui (Mon Jun 09 2003 - 07:41:07 PDT)
- RE: May I get you help from new user of amber? Yong Duan (Mon Jun 09 2003 - 08:12:41 PDT)
- Re: May I get you help from new user of amber? Satish Mummadi (Mon Jun 09 2003 - 08:28:54 PDT)
- Re: May I get you help from new user of amber?(xmkmf) Satish Kumar (Mon Jun 09 2003 - 08:46:53 PDT)
- saving trajectory of solute only Peter Anderson (Mon Jun 09 2003 - 09:01:53 PDT)
- Re: saving trajectory of solute only Carlos Simmerling (Mon Jun 09 2003 - 09:06:01 PDT)
- Re: saving trajectory of solute only David A. Case (Mon Jun 09 2003 - 09:24:03 PDT)
- shake problem? Shuang Ding (Mon Jun 09 2003 - 11:33:50 PDT)
- helix movement Bimo Ario Tejo (Tue Jun 10 2003 - 03:10:29 PDT)
- Re: helix movement Yuguang Mu (Tue Jun 10 2003 - 03:47:42 PDT)
- Re: helix movement Bimo Ario Tejo (Tue Jun 10 2003 - 04:19:05 PDT)
- PME Yuguang Mu (Tue Jun 10 2003 - 05:04:08 PDT)
- Re: helix movement Andreas Svrcek-Seiler (Tue Jun 10 2003 - 05:07:49 PDT)
- Re: helix movement Bimo Ario Tejo (Tue Jun 10 2003 - 05:18:14 PDT)
- Re: helix movement Yuguang Mu (Wed Jun 11 2003 - 05:47:34 PDT)
- helix axis for A-RNA Vlad Cojocaru (Tue Jun 10 2003 - 05:25:09 PDT)
- Re: helix axis for A-RNA M. L. Dodson (Tue Jun 10 2003 - 06:36:44 PDT)
- Superimposed trajectory Filip Razga (Tue Jun 10 2003 - 06:59:06 PDT)
- Re: Superimposed trajectory David A. Case (Tue Jun 10 2003 - 07:53:42 PDT)
- Problem in separating LES copies into different trajectory Sameer P. Kawatkar (Tue Jun 10 2003 - 08:15:18 PDT)
- Re: Problem in separating LES copies into different trajectory Viktor Hornak (Tue Jun 10 2003 - 08:50:36 PDT)
- A question of time Darren Davies (Tue Jun 10 2003 - 08:52:31 PDT)
- Re: A question of time David A. Case (Tue Jun 10 2003 - 09:34:19 PDT)
- restart MD Shuang Ding (Tue Jun 10 2003 - 11:12:08 PDT)
- GB model MF Yang (Tue Jun 10 2003 - 12:54:33 PDT)
- Minimization does not converge. Javier Cuervo (Tue Jun 10 2003 - 20:14:43 PDT)
- Re: Minimization does not converge. David A. Case (Tue Jun 10 2003 - 22:52:29 PDT)
- Re: any tool to know what functions are being called while sander is being run?? Satish Mummadi (Tue Jun 10 2003 - 22:32:11 PDT)
- New location for the Amber web site David A. Case (Tue Jun 10 2003 - 23:04:54 PDT)
- PME Yuguang Mu (Wed Jun 11 2003 - 01:33:29 PDT)
- delphi on linux chernhoe (Wed Jun 11 2003 - 02:03:13 PDT)
- vlimit exceeded when sander calculate free energies using TI zsx (Wed Jun 11 2003 - 04:51:09 PDT)
- Re: vlimit exceeded when sander calculate free energies using TI David A. Case (Wed Jun 11 2003 - 08:21:31 PDT)
- any tool to know what functions are being called while sander is being run?? Satish Mummadi (Wed Jun 11 2003 - 06:42:58 PDT)
- Re: any tool to know what functions are being called while sander is being run?? Guanglei Cui (Wed Jun 11 2003 - 06:53:45 PDT)
- quasih problem Yang, Mingfeng (Wed Jun 11 2003 - 07:10:30 PDT)
- Re: quasih problem David A. Case (Wed Jun 11 2003 - 08:12:54 PDT)
- calculated b-factor higher than x-ray Bimo Ario Tejo (Wed Jun 11 2003 - 11:23:03 PDT)
- which AMBER program to use to get the e-density output? salinthip thipayang (Wed Jun 11 2003 - 12:24:40 PDT)
- bugfix ptraj-6.4 (need to confirm) Bimo Ario Tejo (Thu Jun 12 2003 - 05:51:27 PDT)
- jarrod Jarrod Wesley Barnes (Thu Jun 12 2003 - 07:51:33 PDT)
- Re: jarrod Holger Gohlke (Thu Jun 12 2003 - 08:18:43 PDT)
- Re: jarrod Matheus Froeyen (Fri Jun 13 2003 - 00:36:14 PDT)
- install problem Dave S Walker (Thu Jun 12 2003 - 14:18:02 PDT)
- Re: install problem David A. Case (Thu Jun 12 2003 - 15:26:56 PDT)
- Re: install problem Dave S Walker (Thu Jun 12 2003 - 17:03:21 PDT)
- Re: install problem David A. Case (Thu Jun 12 2003 - 15:26:56 PDT)
- glycam force field with amber PSR04996.mailstudenti.unimi.it (Fri Jun 13 2003 - 04:28:07 PDT)
- Re: glycam force field with amber David A. Case (Fri Jun 13 2003 - 09:42:31 PDT)
- Problem with a library Frederico.Miranda.ibmb.uib.no (Fri Jun 13 2003 - 13:27:36 PDT)
- Re: Problem with a library David A. Case (Fri Jun 13 2003 - 14:07:37 PDT)
- parallel sander jobs die with error: "MPI_COMM_RANK : Null communicator" chris switzer (Sat Jun 14 2003 - 19:00:51 PDT)
- can you give me more advice about: vlimit exceeded when sander calculate free energies using TI sxzheng (Mon Jun 16 2003 - 05:47:53 PDT)
- Re: can you give me more advice about: vlimit exceeded when sander calculate free energies using TI David A. Case (Mon Jun 16 2003 - 08:12:05 PDT)
- Medical Imaging Risk & Reward -- Medical Imaging Consultant Radiation Aware (Mon Jun 16 2003 - 20:17:03 PDT)
- LEAP compiling problem yuann (Tue Jun 17 2003 - 03:14:23 PDT)
- Re: LEAP compiling problem David A. Case (Tue Jun 17 2003 - 08:51:21 PDT)
- Re: LEAP compiling problem David A. Case (Tue Jun 17 2003 - 09:09:26 PDT)
- Re: LEAP compiling problem yuann (Tue Jun 17 2003 - 18:17:56 PDT)
- Re: LEAP compiling problem David A. Case (Tue Jun 17 2003 - 09:09:26 PDT)
- Re: LEAP compiling problem David A. Case (Tue Jun 17 2003 - 08:51:21 PDT)
- CCL: Amber free energy equation Daquan Gao (Tue Jun 17 2003 - 09:33:39 PDT)
- AMBER7 on linux cluster Venkata S Koppuravuri (Tue Jun 17 2003 - 09:49:06 PDT)
- Re: AMBER7 on linux cluster Carlos Simmerling (Tue Jun 17 2003 - 09:54:28 PDT)
- Re: AMBER7 on linux cluster Venkata S Koppuravuri (Fri Jun 20 2003 - 07:53:17 PDT)
- Re: AMBER7 on linux cluster Carlos Simmerling (Fri Jun 20 2003 - 07:55:10 PDT)
- RE: AMBER7 on linux cluster Yong Duan (Fri Jun 20 2003 - 18:35:04 PDT)
- Re: AMBER7 on linux cluster Venkata S Koppuravuri (Fri Jun 20 2003 - 07:53:17 PDT)
- Re: AMBER7 on linux cluster Carlos Simmerling (Tue Jun 17 2003 - 09:54:28 PDT)
- new tutorial available: introduction to ptraj David A. Case (Tue Jun 17 2003 - 11:03:54 PDT)
- Sander error Yuhui Cheng (Tue Jun 17 2003 - 11:37:21 PDT)
- Re: Sander error Natasja Brooijmans (Tue Jun 17 2003 - 11:44:53 PDT)
- Error in minimization using sander_classic of AMBER6 dicksmit.umich.edu (Tue Jun 17 2003 - 13:20:03 PDT)
- Re: Error in minimization using sander_classic of AMBER6 David A. Case (Tue Jun 17 2003 - 13:53:49 PDT)
- web link for PLEP is not available. Margaret Shun Cheung (Tue Jun 17 2003 - 13:28:40 PDT)
- Problem with LES topology file Courtney Stanton (Tue Jun 17 2003 - 15:28:10 PDT)
- Re: Problem with LES topology file Carlos Simmerling (Tue Jun 17 2003 - 15:42:07 PDT)
- Flag for antechamber Nick Polfer (Wed Jun 18 2003 - 01:59:01 PDT)
- mpirun problem: no rsh Peter Anderson (Wed Jun 18 2003 - 10:50:26 PDT)
- Re: mpirun problem: no rsh Carlos Simmerling (Wed Jun 18 2003 - 10:56:48 PDT)
- Re: mpirun problem: no rsh Michael Crowley (Wed Jun 18 2003 - 12:04:52 PDT)
- help on solvatecap Mao Xiang (Wed Jun 18 2003 - 18:47:36 PDT)
- debug sander Andrew Petersen (Wed Jun 18 2003 - 23:40:04 PDT)
- Re: debug sander Satish Mummadi (Thu Jun 19 2003 - 01:32:02 PDT)
- RE: debug sander Yong Duan (Thu Jun 19 2003 - 02:21:27 PDT)
- constraint + restraint Jose Ramon Blas (Thu Jun 19 2003 - 16:58:41 PDT)
- Re: constraint + restraint David A. Case (Thu Jun 19 2003 - 08:39:44 PDT)
- NOESY restraints Teletchéa Stéphane (Fri Jun 20 2003 - 04:28:03 PDT)
- Re: NOESY restraints David A. Case (Fri Jun 20 2003 - 17:49:00 PDT)
- Re: NOESY restraints Steph (Sat Jun 21 2003 - 03:27:35 PDT)
- Re: NOESY restraints David A. Case (Fri Jun 20 2003 - 17:49:00 PDT)
- AMBER question David (Fri Jun 20 2003 - 09:31:55 PDT)
- Re: AMBER question David A. Case (Fri Jun 20 2003 - 17:59:04 PDT)
- perl question Ioana Cozmuta (Fri Jun 20 2003 - 15:28:57 PDT)
- mm_pbsa problem Peter Anderson (Fri Jun 20 2003 - 15:31:17 PDT)
- Re: mm_pbsa problem Holger Gohlke (Fri Jun 20 2003 - 18:47:21 PDT)
- Question about defining force field FUNG WAI KEUNG (Fri Jun 20 2003 - 20:12:59 PDT)
- Problem with XLEaP in Mandrake 9.1 Karthikeyan Pasupathy (Sun Jun 22 2003 - 10:08:23 PDT)
- RE: Problem with XLEaP in Mandrake 9.1 Ross Walker (Sun Jun 22 2003 - 10:31:02 PDT)
- Re: Problem with XLEaP in Mandrake 9.1 CUI, Guanglei (Sun Jun 22 2003 - 10:44:51 PDT)
- Re: Problem with XLEaP in Mandrake 9.1 John Bushnell (Sun Jun 22 2003 - 18:04:43 PDT)
- 1-4 vdw term in Glycam2000 yuann (Sun Jun 22 2003 - 21:24:16 PDT)
- viewing movie with VMD Layi Adekoya (Mon Jun 23 2003 - 01:00:51 PDT)
- Re: viewing movie with VMD Lepsa (Mon Jun 23 2003 - 01:09:29 PDT)
- RE: viewing movie with VMD Ross Walker (Mon Jun 23 2003 - 15:36:30 PDT)
- Running MD Balvinder Singh (Mon Jun 23 2003 - 10:33:56 PDT)
- Re: Running MD Carlos Simmerling (Mon Jun 23 2003 - 05:10:23 PDT)
- Re: Running MD Balvinder Singh (Mon Jun 23 2003 - 11:02:33 PDT)
- Re: Running MD Carlos Simmerling (Mon Jun 23 2003 - 05:40:24 PDT)
- Re: Running MD Balvinder Singh (Mon Jun 23 2003 - 11:02:33 PDT)
- Re: Running MD Carlos Simmerling (Mon Jun 23 2003 - 05:10:23 PDT)
- how to restrain water Mao Xiang (Mon Jun 23 2003 - 07:59:23 PDT)
- Re: how to restrain water Alfonso Garcia Sosa (Mon Jun 23 2003 - 08:14:02 PDT)
- Re: how to restrain water Alfonso Garcia Sosa (Mon Jun 23 2003 - 08:42:42 PDT)
- Re: how to restrain water Alfonso Garcia Sosa (Mon Jun 23 2003 - 08:14:02 PDT)
- AMBER parameters D Fernandez (Mon Jun 23 2003 - 22:26:09 PDT)
- Re: AMBER parameters David A. Case (Tue Jun 24 2003 - 08:25:35 PDT)
- ptraj question Ioana Cozmuta (Tue Jun 24 2003 - 00:59:48 PDT)
- Re: ptraj question Thomas Cheatham (Tue Jun 24 2003 - 13:56:51 PDT)
- Another mm_pbsa problem Peter Anderson (Tue Jun 24 2003 - 09:47:58 PDT)
- Re: Another mm_pbsa problem Holger Gohlke (Tue Jun 24 2003 - 10:08:25 PDT)
- GAFF in GUI MD apps Thomas (Tue Jun 24 2003 - 12:07:54 PDT)
- Re: GAFF in GUI MD apps FyD (Tue Jun 24 2003 - 22:50:58 PDT)
- electrostatic interaction energ. /delphi Tommi Kajander (Tue Jun 24 2003 - 12:39:51 PDT)
- Re: electrostatic interaction energ. /delphi Natasja Brooijmans (Tue Jun 24 2003 - 12:45:22 PDT)
- RE: Software Sales Pete Koladich (Tue Jun 24 2003 - 13:41:53 PDT)
- Memory problem Frederico.Miranda.ibmb.uib.no (Tue Jun 24 2003 - 17:17:40 PDT)
- T in MD vs. T in wet experiments Jianhui Wu (Tue Jun 24 2003 - 18:34:31 PDT)
- Sander problem Yuhui Cheng (Tue Jun 24 2003 - 19:31:28 PDT)
- Re: Sander problem David A. Case (Wed Jun 25 2003 - 15:30:21 PDT)
- Question about defining force field (followup) FUNG WAI KEUNG (Tue Jun 24 2003 - 21:14:10 PDT)
- unifying trajectory files Peter Anderson (Wed Jun 25 2003 - 08:57:42 PDT)
- Re: unifying trajectory files Carlos Simmerling (Wed Jun 25 2003 - 09:05:57 PDT)
- Re: unifying trajectory files Natasja Brooijmans (Wed Jun 25 2003 - 09:25:41 PDT)
- Re: unifying trajectory files Ioana Cozmuta (Wed Jun 25 2003 - 12:58:39 PDT)
- Antechamber Shweta Sikri (Wed Jun 25 2003 - 09:47:52 PDT)
- Re: Antechamber David A. Case (Wed Jun 25 2003 - 10:31:31 PDT)
- Re: Antechamber Shweta Sikri (Wed Jun 25 2003 - 12:26:31 PDT)
- Re: Antechamber David A. Case (Wed Jun 25 2003 - 10:31:31 PDT)
- pyroglutamic acid (PCA) Javier Cuervo (Wed Jun 25 2003 - 18:16:44 PDT)
- Re: pyroglutamic acid (PCA) David A. Case (Thu Jun 26 2003 - 10:34:25 PDT)
- Amber6 on RH 9 Yichen Cao (Thu Jun 26 2003 - 08:37:09 PDT)
- Re: Amber6 on RH 9 David A. Case (Thu Jun 26 2003 - 10:31:56 PDT)
- Problem with Snader Frederico.Miranda.ibmb.uib.no (Sat Jun 28 2003 - 06:17:12 PDT)
- Re: Problem with Snader Guanglei Cui (Sat Jun 28 2003 - 07:53:59 PDT)
- protonate Giulio Rastelli (Sun Jun 29 2003 - 14:31:20 PDT)
- Last message date: Sun Jun 29 2003 - 16:53:01 PDT
- Archived on: Mon Jan 05 2009 - 06:06:22 PST
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