Amber Archive Aug 2006 by messages with attachments

390 messages: Starting Wed Aug 02 2006 - 06:07:09 PDT, Ending Sun Sep 03 2006 - 06:07:18 PDT
This period: Most recent messages
sort by: [ thread ] [ author ] [ date ] [ subject ] [ attachment ]

Re: AMBER: any work-around for 80 character mask string limit? David A. Case (Tue Aug 01 2006 - 14:37:36 PDT)
1. findmask.patch (4057 bytes)
AMBER: H-bonds of peptide with water sangeeta (Fri Aug 04 2006 - 06:20:13 PDT)
1. hbond_peptclost_wat_gen.trajin (1802 bytes)
2. cgaslv10ns_trj_hbond.dat (24751 bytes)
Re: AMBER: H-bonds of peptide with water Scott Pendley (Mon Aug 07 2006 - 12:56:04 PDT)
1. generic.acceptor.ptraj (621 bytes)
2. generic.donor.ptraj (880 bytes)
AMBER: Problem with restarting MD simulation Gobind Bisht (Mon Aug 07 2006 - 22:02:56 PDT)
1. l42b18_eqb1.rst (194428 bytes)
AMBER: AMBER8 - RDF bug Petr Kulhanek (Fri Aug 11 2006 - 09:00:57 PDT)
1. rdf.patch (1476 bytes)
Re: AMBER: impose command in leap problem Piotr Cieplak (Mon Aug 14 2006 - 13:44:02 PDT)
1. impose.tar.Z (392743 bytes)
AMBER: (Another) Question about using antechamber with G03 Gustavo Seabra (Tue Aug 15 2006 - 10:51:16 PDT)
1. ac.err (830 bytes)
AMBER: antechamber failure on FMN David Mobley (Tue Aug 15 2006 - 11:04:42 PDT)
1. FMNH.mol2 (5161 bytes)
2. FMN.mol2 (5121 bytes)
AMBER: help with leap sethl.gatech.edu (Wed Aug 16 2006 - 16:24:42 PDT)
1. namot-test-new.pdb (63289 bytes)
AMBER: RE: antechamber failure on FMN Junmei Wang (Thu Aug 17 2006 - 16:14:47 PDT)
1. FMNH_bcc.mol2 (5274 bytes)
RE: AMBER: Installation amber 9 on IBM SP4 Ross Walker (Thu Aug 24 2006 - 15:08:03 PDT)
1. no_vtanh.patch (545 bytes)
RE: AMBER: antechamber charge calculation very sensitive to conformations ? Junmei Wang (Thu Aug 24 2006 - 19:51:07 PDT)
1. mopac_regul.out (201663 bytes)
2. mopac_mini.out (192383 bytes)
Re: AMBER: How to create a modified NA in leap sethl.gatech.edu (Sat Aug 26 2006 - 13:13:10 PDT)
1. hexA5.in (2586 bytes)