Amber Archive Oct 2007 by messages with attachments

331 messages: Starting Wed Oct 03 2007 - 06:07:14 PDT, Ending Sun Nov 04 2007 - 06:07:19 PST
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Re: AMBER: Simulation continuation problem. Cant read restart file!!!!!! Anthony Cruz (Fri Oct 05 2007 - 05:44:50 PDT)
1. RMSD_comp.gif (12969 bytes)
AMBER: regrading interaction energy calculations gurpreet singh (Sun Oct 07 2007 - 21:52:23 PDT)
1. a.in (294 bytes)
2. a.out (14750 bytes)
AMBER: entropy with ptraj Marius Retegan (Mon Oct 08 2007 - 05:24:36 PDT)
1. align.out (10585 bytes)
2. no_align.out (10211 bytes)
AMBER: Heat capacity, diffusivity way off in this simulation of SPC/E water? David Cerutti (Mon Oct 08 2007 - 22:25:43 PDT)
1. wat512gly04.in (659 bytes)
2. wat512gly0.crd (56145 bytes)
3. wat512gly0.top (239607 bytes)
AMBER: Missing 'yacc' command Hopkins, Robert (Sat Oct 13 2007 - 15:00:00 PDT)
1. mkser1.txt (270913 bytes)
AMBER: error in modified PNA DNA simulation Sharad gupta (Sun Oct 14 2007 - 22:35:13 PDT)
1. wat_nsd_md3_sh.sub (288 bytes)
2. wat_nsd_md3_sh.e1116 (383 bytes)
3. wat_nsd_md3_out.out (8780 bytes)
AMBER: Amber 9: Generating Input files for EVB simulations of the crosslinked structures (Hydrogels) sanket deshmukh (Wed Oct 31 2007 - 11:57:54 PDT)
1. METACR.pdb (21538 bytes)
2. christc1.pdb (18816 bytes)