Amber Archive Oct 2011 by messages with attachments

628 messages: Starting Fri Sep 30 2011 - 21:00:02 PDT, Ending Mon Oct 31 2011 - 18:30:02 PDT
This period: Most recent messages
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Re: [AMBER] PLUMED for PATH COLLECTIVE VARIABLES Ben Roberts (Sat Oct 01 2011 - 19:32:52 PDT)
1. smime.p7s (4373 bytes)
Re: [AMBER] PDB file modification Asmita Gupta (Mon Oct 03 2011 - 10:30:51 PDT)
1. real.pdb (117369 bytes)
Re: [AMBER] MMPBSA input error for INP Jason Swails (Mon Oct 03 2011 - 19:48:33 PDT)
1. mmpbsa.patch (627 bytes)
Re: [AMBER] AMOEBA potentials Neha Gandhi (Tue Oct 04 2011 - 02:41:08 PDT)
1. phf6amber.pdb (9125 bytes)
Re: [AMBER] Illegal atomic numbers in nucleic10.lib Jason Swails (Tue Oct 04 2011 - 10:34:12 PDT)
1. nucleic10.txt (155528 bytes)
[AMBER] Creating periodic solvent box Dean Cuebas (Tue Oct 04 2011 - 13:35:03 PDT)
1. 10-04_at_3.33.08_PM.png (54687 bytes)
[AMBER] MMPBSA.py.MPI problems: L-J-parameters, bad file descriptors, MMPBSA hangup due to sander failure Jan-Philip Gehrcke (Wed Oct 05 2011 - 03:54:16 PDT)
1. _MMPBSA_complex_gb.mdout.0 (5927 bytes)
[AMBER] MMPBSA.py: no value inserted for "Residues to print": left as "RES EDIT" Jan-Philip Gehrcke (Wed Oct 05 2011 - 07:32:45 PDT)
1. MMPBSA.stdouterr (17102 bytes)
[AMBER] Reg:QM region + cutoff larger than box dimension kaustubh joshi (Thu Oct 06 2011 - 07:46:29 PDT)
1. files_with_cut_8.zip (76202 bytes)
2. files_with_cut_4.zip (563696 bytes)
[AMBER] MMPBSA.MPI: IOError: [Errno 9] Bad file descriptor George Tzotzos (Thu Oct 06 2011 - 15:45:32 PDT)
1. _MMPBSA_complex_pb.mdout.11 (238443 bytes)
Re: [AMBER] bug in respgen ? thomas.fox.boehringer-ingelheim.com (Fri Oct 07 2011 - 05:15:08 PDT)
1. respgen_bug.tar (225280 bytes)
Re: [AMBER] sander mpi error when unfolding the protein Chinh Su Tran To (Sun Oct 09 2011 - 19:45:31 PDT)
1. 3_md.png (152793 bytes)
Re: [AMBER] AmberTools 1.5 compilation error Ben Roberts (Wed Oct 19 2011 - 16:45:56 PDT)
1. smime.p7s (4373 bytes)
Re: [AMBER] AmberTools-1.5 installation Dr. Alaa El-Din A. Abdel-Gawad (Sat Oct 22 2011 - 02:38:34 PDT)
1. tleap.doc (114176 bytes)
[AMBER] for mm_pbsa.pl, when MS=0, PB does not work, GB works Qiong Zhang (Sat Oct 22 2011 - 22:46:27 PDT)
1. binding_energy.mmpbsa (11117 bytes)
2. binding_energy.log (414424 bytes)
3. statis.log (7469 bytes)
Re: [AMBER] how to get tetramer coordinate of Melittin Form PDB ID:2MLT. Hector A. Baldoni (Tue Oct 25 2011 - 15:23:54 PDT)
1. MakeMultimer.py (12111 bytes)
[AMBER] Salt in explicit water Beale, John (Fri Oct 28 2011 - 02:01:20 PDT)
1. image001.jpg (23871 bytes)