Amber Archive Apr 2004 by thread
- AMBER: Question on Amber7... Pmartin (Thu Apr 01 2004 - 15:31:49 PST)
- AMBER: Mac OSX xleap compilation Sergio Pantano (Thu Apr 01 2004 - 22:32:07 PST)
- AMBER: PERT.charge problem in xleap Helios Chen (Fri Apr 02 2004 - 04:10:54 PST)
- AMBER: Alignment tensor for Sander RDCs tim (Fri Apr 02 2004 - 06:47:47 PST)
- AMBER: Parameters for ions? nie beining (Fri Apr 02 2004 - 10:15:51 PST)
- AMBER: installing amber8 on a dual processor single box Carsten Detering (Fri Apr 02 2004 - 10:37:46 PST)
- AMBER: Intel fortran compiler and -static switch in older pmemd releases Robert Duke (Fri Apr 02 2004 - 13:10:49 PST)
- AMBER: question about image Youyi Peng (Fri Apr 02 2004 - 14:41:36 PST)
- AMBER: sander + ew_legal.h Carsten Detering (Fri Apr 02 2004 - 17:08:07 PST)
- AMBER: question about image - truncated octahedron Chris Moth (Sat Apr 03 2004 - 07:22:14 PST)
- AMBER: amber8 tutorial Patil, Sachin (Sun Apr 04 2004 - 17:03:20 PDT)
- AMBER: Error in building a molecule anshul.imtech.res.in (Mon Apr 05 2004 - 15:01:54 PDT)
- AMBER: minimization of GLH Hailong Lin (Mon Apr 05 2004 - 04:57:31 PDT)
- AMBER: Antechamber compilation error Arvind (Mon Apr 05 2004 - 09:22:21 PDT)
- AMBER: antechamber: frcmod parameter need revision atchara.mercury.hec.utah.edu (Mon Apr 05 2004 - 14:11:12 PDT)
- AMBER: which parameters for Ca2+ ? cailliez (Tue Apr 06 2004 - 00:50:03 PDT)
- AMBER: anshul.imtech.res.in (Tue Apr 06 2004 - 14:58:07 PDT)
- AMBER: free energy perturbation Herbert Georg (Tue Apr 06 2004 - 08:21:55 PDT)
- AMBER: which atoms are H's for SHAKE? Oliver Hucke (Tue Apr 06 2004 - 10:32:12 PDT)
- AMBER: gibbs calculation Carsten Detering (Tue Apr 06 2004 - 11:11:55 PDT)
- AMBER: new leap with old gibbs Carsten Detering (Tue Apr 06 2004 - 12:16:01 PDT)
- Re: AMBER: which atoms are H's for SHAKE? Bill Ross (Tue Apr 06 2004 - 13:11:41 PDT)
- AMBER: more vlimit exceeded problems... Linda Prengaman (Tue Apr 06 2004 - 19:22:44 PDT)
- AMBER: Amber 8 ptraj segmentation fault Sivakolundu, Sivashankar (Tue Apr 06 2004 - 22:49:08 PDT)
- AMBER: riccardodesantis.fastwebnet.it (Tue Apr 06 2004 - 23:02:57 PDT)
- AMBER: ANAL: how can i buld the anal.in file? riccardodesantis.fastwebnet.it (Tue Apr 06 2004 - 23:14:49 PDT)
- AMBER: Error message while testing Alessio Comisso (Wed Apr 07 2004 - 04:53:24 PDT)
- AMBER: error in antechamber anshul.imtech.res.in (Wed Apr 07 2004 - 15:49:47 PDT)
- AMBER: unique atom names anshul.imtech.res.in (Wed Apr 07 2004 - 16:00:31 PDT)
- AMBER: unique atom names Chris Moth (Wed Apr 07 2004 - 07:20:11 PDT)
- AMBER: Ti of CH3 -> NH2 Carsten Detering (Wed Apr 07 2004 - 15:14:11 PDT)
- AMBER: bug of leap? Ye Mei (Wed Apr 07 2004 - 19:27:11 PDT)
- AMBER: bug of leap? Ye Mei (Wed Apr 07 2004 - 19:29:07 PDT)
- AMBER: Carnal in Amber7 Sichun Yang (Wed Apr 07 2004 - 21:03:35 PDT)
- AMBER: warning about improper dihedral in leap!! Pradipta Bandyopadhyay (Thu Apr 08 2004 - 04:50:18 PDT)
- AMBER: Beale, John (Thu Apr 08 2004 - 06:04:04 PDT)
- Re: AMBER: Carnal in Amber7 Bill Ross (Thu Apr 08 2004 - 11:16:02 PDT)
- AMBER: Dipole moment changes during MD Jiten (Thu Apr 08 2004 - 18:31:17 PDT)
- AMBER: script on tutorial page Ioana Cozmuta (Thu Apr 08 2004 - 19:25:50 PDT)
- AMBER: NMODE xiaowei li (Fri Apr 09 2004 - 13:20:23 PDT)
- AMBER: Suggestions for newer pentium chips and hyperthreading with PMEMD Robert Duke (Fri Apr 09 2004 - 14:13:59 PDT)
- AMBER: equilibration does not start with SHAKE Oliver Hucke (Fri Apr 09 2004 - 15:30:55 PDT)
- AMBER: amber/pmemd with mpiexec Lubos Vrbka (Sat Apr 10 2004 - 09:50:30 PDT)
- Returned mail: see transcript for details Mail Delivery Subsystem (Sat Apr 10 2004 - 13:42:30 PDT)
- AMBER: Antechamber compilation: leap error Arvind (Mon Apr 12 2004 - 04:05:58 PDT)
- AMBER: XLeap: head/tail and frcmod L Jin (Mon Apr 12 2004 - 04:35:47 PDT)
- AMBER: Compiling Amber 8 Beale, John (Mon Apr 12 2004 - 06:44:25 PDT)
- AMBER: Group in sander xiaowei li (Mon Apr 12 2004 - 12:05:29 PDT)
- AMBER: scali amber8 Guanglei Cui (Mon Apr 12 2004 - 13:02:11 PDT)
- AMBER: ptraj pengyo.UMDNJ.EDU (Mon Apr 12 2004 - 13:09:22 PDT)
- AMBER: water hole Holly Freedman (Mon Apr 12 2004 - 14:43:32 PDT)
- AMBER: how to use mm_pbsa_statistics.pl independently Jufang Shan (Mon Apr 12 2004 - 19:23:36 PDT)
- AMBER: Re: a new question Viktor Hornak (Mon Apr 12 2004 - 20:02:35 PDT)
- AMBER: WHICH LINUX Raj Badhan (Tue Apr 13 2004 - 07:50:52 PDT)
- AMBER: how to check metal ion bonding ? Venkata S Koppuravuri (Tue Apr 13 2004 - 12:13:52 PDT)
- Re: AMBER: how to check metal ion bonding ? Bill Ross (Tue Apr 13 2004 - 14:34:52 PDT)
- AMBER: Amber 7 on SGI: Sander MPI problem Rohn Wood (Tue Apr 13 2004 - 15:34:12 PDT)
- Out of Office AutoReply: Boost your sex life Bernor, Sandie L (Tue Apr 13 2004 - 17:34:52 PDT)
- AMBER: Creating Parmtop files for NAMD Edward Patrick Obrien (Tue Apr 13 2004 - 17:37:52 PDT)
- AMBER: Amber and Linux compilation Raj Badhan (Wed Apr 14 2004 - 04:26:36 PDT)
- Re: AMBER: non-isotropic pressure scaling Lubos Vrbka (Wed Apr 14 2004 - 05:48:59 PDT)
- AMBER: salt concentration cailliez (Wed Apr 14 2004 - 07:45:44 PDT)
- AMBER: atomicfluct in ptraj Qiang Lu (Wed Apr 14 2004 - 11:12:06 PDT)
- AMBER: Time to minimize the energy by NMODE xiaowei li (Wed Apr 14 2004 - 11:23:02 PDT)
- AMBER: gibbs termination Carsten Detering (Wed Apr 14 2004 - 12:17:29 PDT)
- Re: AMBER: gibbs termination Bill Ross (Wed Apr 14 2004 - 13:16:50 PDT)
- AMBER: xleap bug? Carsten Detering (Wed Apr 14 2004 - 15:28:07 PDT)
- AMBER: Problem in loading a PDB file in Leap - Please help me Mike (Wed Apr 14 2004 - 23:25:07 PDT)
- AMBER: ptraj-6.5 cailliez (Thu Apr 15 2004 - 02:42:36 PDT)
- AMBER: pbsa Chenglong Li (Thu Apr 15 2004 - 10:26:51 PDT)
- AMBER: distance measurement in carnal and ptraj anshul.imtech.res.in (Fri Apr 16 2004 - 13:56:33 PDT)
- AMBER: new atom and increase the number of bonds Tomas Hrobarik (Fri Apr 16 2004 - 07:01:56 PDT)
- Re: AMBER: distance measurement in carnal and ptraj Bill Ross (Fri Apr 16 2004 - 11:32:07 PDT)
- AMBER: compiling Amber 8 Beale, John (Fri Apr 16 2004 - 10:23:23 PDT)
- AMBER: free energy perturbation questions hj zou (Sat Apr 17 2004 - 07:38:28 PDT)
- AMBER: loading PDB problem in leap Suwipa saen-oon (Sun Apr 18 2004 - 02:35:35 PDT)
- AMBER: xleap console message Guanglei Cui (Mon Apr 19 2004 - 08:06:05 PDT)
- AMBER: Intel Fortran Compiler, 7.1 status Robert Duke (Mon Apr 19 2004 - 08:32:49 PDT)
- AMBER: ptraj projections help Thomas C. Bishop (Mon Apr 19 2004 - 10:41:08 PDT)
- AMBER: memory problem in NMODE xhu1.memphis.edu (Mon Apr 19 2004 - 13:06:46 PDT)
- AMBER: nucgen generated RNA duplex: leap problems Arvind (Tue Apr 20 2004 - 04:44:37 PDT)
- AMBER: Simulation of lipid bilayers Greg Jezierski (Tue Apr 20 2004 - 07:41:50 PDT)
- AMBER: "No radius found for F" error and vdw radii for F in MMPBSA Ming Lei (Tue Apr 20 2004 - 08:47:40 PDT)
- AMBER: instalation of amber7 on SUN anshul.imtech.res.in (Tue Apr 20 2004 - 19:53:20 PDT)
- AMBER: Using pbsa Thomas Steinbrecher (Tue Apr 20 2004 - 16:16:37 PDT)
- AMBER: distance dependent dielectric anshul.imtech.res.in (Wed Apr 21 2004 - 08:30:49 PDT)
- AMBER: Question about compiling PMEMD Tod Pascal (Wed Apr 21 2004 - 00:21:40 PDT)
- AMBER: Turning off non-bond interactions david.evans.ulsop.ac.uk (Wed Apr 21 2004 - 01:22:21 PDT)
- AMBER: How to solve these warnings? Xiao He (Wed Apr 21 2004 - 01:37:40 PDT)
- AMBER: Why are there LENNARD_JONES_COEF A,B zero Xiao He (Wed Apr 21 2004 - 01:46:29 PDT)
- AMBER: non-periodic simulation and box information !! Pradipta Bandyopadhyay (Wed Apr 21 2004 - 08:56:31 PDT)
- AMBER: rdparm: a parameter array overflowed Wen Li (Wed Apr 21 2004 - 09:04:17 PDT)
- Re: AMBER: How to solve these warnings? Bill Ross (Wed Apr 21 2004 - 11:21:30 PDT)
- Re: AMBER: nucgen generated RNA duplex: leap problems Bill Ross (Wed Apr 21 2004 - 11:33:00 PDT)
- AMBER: gaff "ha" atom type Oliver Hucke (Wed Apr 21 2004 - 13:38:20 PDT)
- AMBER: restraintmask and ambmask Oliver Hucke (Wed Apr 21 2004 - 17:17:24 PDT)
- AMBER: Bond type in leap anshul.imtech.res.in (Thu Apr 22 2004 - 12:22:31 PDT)
- AMBER: mm_pbsa examples; delphi in mm_pbsa Kazuo Koyano (Thu Apr 22 2004 - 01:34:03 PDT)
- AMBER: antechamber bcctype.c typo Chris Moth (Thu Apr 22 2004 - 05:07:32 PDT)
- AMBER: Euclidean distances Wen Li (Thu Apr 22 2004 - 07:49:45 PDT)
- Re: AMBER: Euclidean distances Bill Ross (Thu Apr 22 2004 - 09:34:37 PDT)
- Re: AMBER: Bond type in leap Bill Ross (Thu Apr 22 2004 - 09:53:33 PDT)
- AMBER: MD for protein-carbohydrate complex Mikyung Seo (Thu Apr 22 2004 - 13:03:33 PDT)
- Re: AMBER: MD for protein-carbohydrate complex Bill Ross (Thu Apr 22 2004 - 13:03:54 PDT)
- AMBER: protein-carbohydrate complex Mikyung Seo (Thu Apr 22 2004 - 15:27:31 PDT)
- Re: AMBER: protein-carbohydrate complex Bill Ross (Thu Apr 22 2004 - 15:39:16 PDT)
- AMBER: solvateCap warning Helios Chen (Fri Apr 23 2004 - 02:47:25 PDT)
- AMBER: partition error in shake Guanglei Cui (Fri Apr 23 2004 - 08:18:19 PDT)
- AMBER: pmemd and mpich - myrinet Lubos Vrbka (Fri Apr 23 2004 - 08:59:31 PDT)
- AMBER: Parameters for nonpolar contribution to solvation Thomas Steinbrecher (Fri Apr 23 2004 - 10:48:42 PDT)
- AMBER: parameters for neutral Arg Mikyung Seo (Fri Apr 23 2004 - 13:51:14 PDT)
- AMBER: compile amber8 in linux with ifort quch quch (Fri Apr 23 2004 - 14:08:05 PDT)
- AMBER: Antechamber: problems with bcc correction Oliver Hucke (Fri Apr 23 2004 - 15:08:47 PDT)
- AMBER: "matrix" in ptraj Sichun Yang (Fri Apr 23 2004 - 18:19:28 PDT)
- AMBER: NSNB parameter Helios Chen (Fri Apr 23 2004 - 20:45:42 PDT)
- AMBER: tutorial of Biotin/Streptavidin Helios Chen (Sat Apr 24 2004 - 06:37:43 PDT)
- AMBER: overlap between HE and OE in GLH Hailong Lin (Mon Apr 26 2004 - 08:49:36 PDT)
- AMBER: neutral residues Mikyung Seo (Mon Apr 26 2004 - 09:33:04 PDT)
- AMBER: PARMSCAN Sergio Emanuel Galembeck (Mon Apr 26 2004 - 11:29:05 PDT)
- AMBER: universal recognition of chemicals Ioana Cozmuta (Mon Apr 26 2004 - 15:15:55 PDT)
- AMBER: Titratable amino acid termini Sarah Harris (Tue Apr 27 2004 - 02:43:16 PDT)
- Ready and (0nline) amber preview.jpg Date Chatters (Tue Apr 27 2004 - 07:14:24 PDT)
- Ready and (0nline) amber preview.jpg Date Chatters (Tue Apr 27 2004 - 07:14:28 PDT)
- AMBER: xleap don't recognize formaldehyde? scopio (Tue Apr 27 2004 - 07:53:00 PDT)
- AMBER: AMBER Gibbs Memory problem Jiten (Tue Apr 27 2004 - 09:01:09 PDT)
- AMBER: amber8 performance on linux cluster quch quch (Tue Apr 27 2004 - 10:05:45 PDT)
- AMBER: PMEMD and ifort 8 update Robert Duke (Tue Apr 27 2004 - 11:08:05 PDT)
- AMBER: Additional note on ld.so.conf vs. LD_LIBRARY_PATH Robert Duke (Tue Apr 27 2004 - 11:29:35 PDT)
- AMBER: %GIBBS-F-MISMATCH, The parm and coord files disagree on the number of atoms Jiten (Tue Apr 27 2004 - 19:29:25 PDT)
- AMBER: question on simulated annealing Venkata S Koppuravuri (Wed Apr 28 2004 - 09:00:39 PDT)
- AMBER: questions about NMODE xhu1.memphis.edu (Wed Apr 28 2004 - 10:43:34 PDT)
- AMBER: a general question about the mmpbsa method a b (Wed Apr 28 2004 - 20:51:00 PDT)
- AMBER: mm_pbsa question: MAXAT=10000 exceeded Fang, Jianwen (Wed Apr 28 2004 - 21:48:09 PDT)
- AMBER: VS: mmpbsa question Olayiwola Adekoya (Thu Apr 29 2004 - 02:32:32 PDT)
- AMBER: Redhat install Helios Chen (Thu Apr 29 2004 - 07:24:17 PDT)
- AMBER: CHARMM PSF to PRMTOP Gabbar Daaku (Thu Apr 29 2004 - 14:42:33 PDT)
- AMBER: Angle Restraining Pooja Narang (Fri Apr 30 2004 - 00:17:30 PDT)
- AMBER: just sander not run Helios Chen (Fri Apr 30 2004 - 02:27:45 PDT)
- AMBER: energy criteria. anshul.imtech.res.in (Fri Apr 30 2004 - 13:51:04 PDT)
- AMBER: Amber8 compilation error Arvind (Fri Apr 30 2004 - 10:04:02 PDT)
- AMBER: esp or resp for all_amino94.lib Mikyung Seo (Fri Apr 30 2004 - 16:06:54 PDT)
- Last message date: Sat May 01 2004 - 00:53:01 PDT
- Archived on: Mon Dec 23 2024 - 05:53:16 PST
