Amber Archive Jul 2012: by messages with attachments

Re: [AMBER] TI calculation Amber 12 Anna Bauß (Mon Jul 02 2012 - 02:36:30 PDT)
1. anna_bauss.vcf (358 bytes)
Re: [AMBER] TI calculation Amber 12 Anna Bauß (Mon Jul 02 2012 - 04:47:43 PDT)
1. anna_bauss.vcf (348 bytes)
Re: [AMBER] TI calculation Amber 12 Anna Bauß (Mon Jul 02 2012 - 05:07:34 PDT)
1. anna_bauss.vcf (348 bytes)
[AMBER] different RMSF between CPU and GPU Massimiliano Porrini (Fri Jul 06 2012 - 12:37:17 PDT)
1. rmsf_16cores.jpg (58906 bytes)
2. rmsf_GTX470.jpg (48306 bytes)
Re: [AMBER] Fwd: AmberTools 12 pbsa: missing newline character in OpenDX output (patched gen_dx_file.F90 attached) Jan-Philip Gehrcke (Mon Jul 09 2012 - 11:57:21 PDT)
1. gen_dx_file.F90.newline.patch (10152 bytes)
2. gen_dx_file.F90 (4880 bytes)
Re: [AMBER] Error in writing of coordinate file after simulation Ashutosh Shandilya (Thu Jul 12 2012 - 11:17:08 PDT)
1. input_file.rar (251192 bytes)
Re: [AMBER] Difficulty using ptraj to generate pdb frames from .mdcrd trajectory Gordon S Freeman (Tue Jul 10 2012 - 15:15:14 PDT)
1. image_1.png (77931 bytes)
2. image_2.png (741994 bytes)
Re: [AMBER] trajectory imaging results in structural clashes in protein-ligand complexes Harald Lanig (Mon Jul 02 2012 - 05:11:30 PDT)
1. img_problem.tar.bz2 (916417 bytes)
Re: [AMBER] lipid params Jio M (Sat Jul 14 2012 - 00:57:58 PDT)
1. dmpc.jpg (25557 bytes)
Re: [AMBER] How to convert AMBER atom type to CYANA Hector A. Baldoni (Thu Jul 19 2012 - 07:52:53 PDT)
1. pdb2pdb.awk (15161 bytes)
[AMBER] Amber Error hclengineer niper (Fri Jul 20 2012 - 04:26:37 PDT)
1. Amber_Error_.rtf (31674 bytes)
[AMBER] stripping number of residues (>20K) problem Jio M (Sun Jul 22 2012 - 02:48:44 PDT)
1. ptraj.in (127548 bytes)
2. ptraj.out (5345 bytes)
[AMBER] Amber Error hclengineer niper (Mon Jul 23 2012 - 00:38:14 PDT)
1. Amber_Error_.rtf (31674 bytes)
[AMBER] Problem with MMPBSA.py.MPI sudipta (Mon Jul 23 2012 - 13:03:06 PDT)
1. FINAL_RESULTS_MMPBSA.dat (7270 bytes)
2. FINAL_RESULTS_MMPBSA_mysystem.dat (5713 bytes)
Re: [AMBER] Problem with MMPBSA.py.MPI sudipta (Mon Jul 23 2012 - 14:38:59 PDT)
1. MMPBSA_pb.tar.gz (822 bytes)
Re: [AMBER] error with ambertools12 and amber10 installation vaibhav dixit (Wed Jul 25 2012 - 02:24:11 PDT)
1. na_anal.nab (92230 bytes)
Re: [AMBER] stripping number of residues (>20K) problem Jio M (Wed Jul 25 2012 - 03:57:26 PDT)
1. del3.in (135754 bytes)
2. del.out (270336 bytes)
[AMBER] Error in ptraj analysis after using iwrap=1 Catein Catherine (Mon Jul 16 2012 - 06:25:55 PDT)
1. Strange_rmsd_rmsf.xls (984576 bytes)
[AMBER] Bug in PM6: Halogens (?) DJH71.pitt.edu (Wed Jul 25 2012 - 12:31:09 PDT)
1. Chloromethane.tar.gz (1447349 bytes)

Amber Archive Jul 2012 by messages with attachments