Amber Archive Nov 2006 by messages with attachments

492 messages: Starting Sun Nov 05 2006 - 06:07:04 PST, Ending Sun Dec 03 2006 - 06:07:40 PST
This period: Most recent messages
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RE: AMBER: Problem of QM/MM calculation with amber 9 parallel version Ross Walker (Thu Nov 02 2006 - 09:05:38 PST)
1. intel_bug_workaround.patch (6462 bytes)
[RE]AMBER: RE: I got the error meassage in testcase of QMMM Lee Kyung-koo (Tue Nov 07 2006 - 08:59:16 PST)
1. TEST_FAILURES.diff (10207 bytes)
AMBER: NAD ?? Urszula Uciechowska (Wed Nov 08 2006 - 05:40:15 PST)
1. 2dfd_T.pdb (189794 bytes)
Re: AMBER: NAD ?? Urszula Uciechowska (Fri Nov 10 2006 - 01:36:15 PST)
1. 2dfd_P.pdb (189900 bytes)
AMBER: ZN-CYS prepin and frcmd file Fenghui Fan (Sun Nov 12 2006 - 18:16:37 PST)
1. CYM_ZN.pdb (2158 bytes)
Re: AMBER: reading psf file jojartb.pharm.u-szeged.hu (Sat Nov 18 2006 - 00:38:26 PST)
1. 128_dspc_wat.psf.gz (541441 bytes)
2. alanin.psf.gz (2050 bytes)
AMBER: Ptraj: diffusion rate Austin B. Yongye (Tue Nov 21 2006 - 13:03:52 PST)
1. Diffusion_r_NSCM_0.ps (276808 bytes)
2. Diffusion_r_NSCM_default.ps (286773 bytes)
AMBER: Ptraj: correlation time Austin B. Yongye (Tue Nov 21 2006 - 13:05:52 PST)
1. Corr_NSCM_0.ps (289178 bytes)
2. Corr_NSCM_default.ps (282539 bytes)
Re: AMBER: ammonia parameters Fenghui Fan (Thu Nov 23 2006 - 07:40:05 PST)
1. nh3.pdb (504 bytes)
2. nh3.frcmod (62 bytes)
AMBER: Antechamber and gaussian questions Fenghui Fan (Fri Nov 24 2006 - 14:04:40 PST)
1. CYM_ZN.pdb (763 bytes)
2. gaussian.out (13615 bytes)
AMBER: amber9 serial compile with pathscale on SuSe10.1/AMD64 In Hee Park (Fri Nov 24 2006 - 14:50:54 PST)
1. config.h (3652 bytes)
2. makeSerial.msg (270188 bytes)
AMBER: how to get complete prepin file Fenghui Fan (Sat Nov 25 2006 - 21:02:20 PST)
1. CYM_ZN.pdb (763 bytes)
2. CYM_ZN.prepi.doc (25088 bytes)