Amber Archive Aug 2008 by messages with attachments

Fwd: AMBER: prepare an initial structure in Amber Lachele Foley (Lists) (Fri Aug 01 2008 - 07:52:50 PDT)
1. prepare_an_initial_structure_in_Amber.ppt (159744 bytes)
Re: AMBER: silhouette width/coefficient after clustering by PTRAJ9.9 Jianyin Shao (Fri Aug 01 2008 - 12:43:14 PDT)
1. step.pl (2480 bytes)
AMBER: MM_PBSA snapshot statistic calc problem Hannes Wallnoefer (Tue Aug 05 2008 - 05:45:48 PDT)
1. binding_energy.mmpbsa.log (207715 bytes)
2. snapshot_com.all.out (69976 bytes)
3. snapshot_lig.all.out (69976 bytes)
4. snapshot_rec.all.out (70104 bytes)
AMBER: NAB: getseq_from_pdb() IN SUK JOUNG (Tue Aug 05 2008 - 17:00:21 PDT)
1. dna.nab (333 bytes)
2. dna.pdb (42207 bytes)
RE: AMBER: NAB conjgrad returns error? Carra, Claudio (JSC-SK)[USRA] (Thu Aug 07 2008 - 09:19:52 PDT)
1. snapshot_lig.pdb.3 (10588 bytes)
2. run.nab (630 bytes)
3. leaprc (4412 bytes)
RE: AMBER: NAB conjgrad returns error? Andreas Svrcek-Seiler (Fri Aug 08 2008 - 08:48:28 PDT)
1. sff2.c.gz (49946 bytes)
Re: AMBER: Prepgen Grange Hermitage (Mon Aug 11 2008 - 00:10:00 PDT)
1. residuegen_err_rpt.tar.gz (134448 bytes)
Re: AMBER: Prepgen Junmei Wang (Tue Aug 12 2008 - 15:30:45 PDT)
1. residuegen.c (14832 bytes)
Re: AMBER: problem with prep file generation Junmei Wang (Wed Aug 13 2008 - 09:59:49 PDT)
1. residuegen.c (17683 bytes)
2. residuegen.input (1650 bytes)
AMBER: IGB=10 in Amber10 In Hee Park (Tue Aug 19 2008 - 11:55:05 PDT)
1. pbsa.tar.gz (237820 bytes)
2. pbsa.tar.gz (287866 bytes)
AMBER: latest update on residuegen Junmei Wang (Tue Aug 26 2008 - 06:55:09 PDT)
1. prepgen.c (35465 bytes)
2. residuegen.input (3108 bytes)
3. residuegen.c (18690 bytes)
Re: AMBER: respgen -a charge groups function ineffective unless Junmei Wang (Wed Aug 27 2008 - 13:55:47 PDT)
1. prepgen.c (36017 bytes)
2. residuegen.c (19052 bytes)
AMBER: Critical patch for pmemd 10 extra points code Robert Duke (Thu Aug 28 2008 - 08:20:59 PDT)
1. pmemd10.patch1 (508 bytes)
AMBER: xleap fails to savemol2 taufik.alsarraj.utoronto.ca (Thu Aug 28 2008 - 15:43:07 PDT)
1. mysioforce.frcmod (445 bytes)
2. newsurface.mol2 (87232 bytes)
Re: AMBER: xleap fails to savemol2 taufik.alsarraj.utoronto.ca (Fri Aug 29 2008 - 10:28:33 PDT)
1. surfacefran.mol2 (91758 bytes)

Last message date: Wed Sep 03 2008 - 06:07:13 PDT
Archived on: Fri Nov 22 2024 - 05:53:41 PST

342 messages sort by: [ thread ] [ author ] [ date ] [ subject ] [ attachment ]

Custom Search