Amber Archive Sep 2007 by messages with attachments

286 messages: Starting Sun Sep 02 2007 - 06:07:43 PDT, Ending Wed Oct 03 2007 - 06:07:04 PDT
This period: Most recent messages
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AMBER: decomposition energy Pankaj R. Daga (Tue Sep 04 2007 - 07:31:25 PDT)
1. snapshot_statistics.out (644105 bytes)
2. chart1.GIF (6740 bytes)
3. chart2.GIF (5620 bytes)
AMBER: Problem compiling AMBER 9 on ppc64 Eric Shamay (Tue Sep 04 2007 - 09:14:07 PDT)
1. config.h (3390 bytes)
Re: AMBER: Prepin error (?) in xleap Lili Peng (Thu Sep 06 2007 - 15:32:48 PDT)
1. glu3_new.pdb (990 bytes)
2. glu3.mol2 (1943 bytes)
3. glu3_orig.pdb (2765 bytes)
AMBER: Torsion terms in xleap Lili Peng (Fri Sep 14 2007 - 15:35:23 PDT)
1. glu4_linear_PTX.mol2 (34609 bytes)
AMBER: problem compiling amber9 on IBM 64 bit machine with xlf90_suse compiler Hayden Eastwood (Wed Sep 19 2007 - 07:24:34 PDT)
1. config.h.serial.txt (3461 bytes)
2. config.h.parallel.txt (3618 bytes)
Re: AMBER: about MD outputs saccenti.cerm.unifi.it (Sun Sep 23 2007 - 05:23:15 PDT)
1. leap.log (62031 bytes)
2. min_system.out (74558 bytes)
AMBER: Pribelm with Minimization & MD saccenti.cerm.unifi.it (Sun Sep 23 2007 - 11:27:20 PDT)
1. leap_1_IN (348 bytes)
2. leap_2_IN (348 bytes)
3. min_prot_in (172 bytes)
4. min_prot_OUT (853 bytes)
5. min_system_com (714 bytes)
6. min_system_IN (263 bytes)
7. min_wat_in (169 bytes)
8. tleap_run (290 bytes)
AMBER: Help WARNING: The unperturbed charge of the unit saccenti.cerm.unifi.it (Mon Sep 24 2007 - 06:32:35 PDT)
1. CUprep (334 bytes)
2. CYG_prep (1103 bytes)
3. inpdb (61714 bytes)
4. leap_1_log (34141 bytes)
5. leap_1_MNK_inp (328 bytes)
6. leap_2_log (41102 bytes)
7. leap_2_MNK_inp (342 bytes)
8. parm_copZ_dat (4508 bytes)
AMBER: Copper and Chlorine parameters Syed Tarique Moin (Tue Sep 25 2007 - 03:39:16 PDT)
1. leap.log (171174 bytes)
Fwd: AMBER: Copper and Chlorine parameters Syed Tarique Moin (Wed Sep 26 2007 - 00:41:59 PDT)
1. leap.log (171174 bytes)
Fwd: AMBER: Copper and Chlorine parameters Syed Tarique Moin (Wed Sep 26 2007 - 20:21:31 PDT)
1. leap.log (171174 bytes)