Amber Archive Apr 2005 by messages with attachments

447 messages: Starting Fri Apr 01 2005 - 05:53:01 PST, Ending Sat Apr 30 2005 - 14:53:00 PDT
This period: Most recent messages
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AMBER: single-stranded poly(rC) simulation Kateryna Miroshnychenko (Mon Apr 04 2005 - 06:49:39 PDT)
1. polyc_backbone.zip (68483 bytes)
Re: Re: AMBER: emilia wu (Mon Apr 04 2005 - 23:43:49 PDT)
1. osc.pdb (5971 bytes)
RE: Re: AMBER: Wells, David H (Tue Apr 05 2005 - 00:13:56 PDT)
1. osc.prepin (7277 bytes)
2. osc.off (12020 bytes)
Re: AMBER: Re:Re:single-stranded poly(rC) simulation Thomas E. Cheatham, III (Tue Apr 05 2005 - 11:32:15 PDT)
1. polya_ss_6ns_avg.gif (55699 bytes)
2. A3_10ns_500psavg.gif (47641 bytes)
AMBER: question about TGMD: vlimit exceeded for step xhu1.memphis.edu (Fri Apr 08 2005 - 13:31:10 PDT)
1. f1-new2-8186.out (17661 bytes)
AMBER: rst file problems mathew k varghese (Mon Apr 11 2005 - 03:03:41 PDT)
1. cyt_cio_md6.rst (52954 bytes)
AMBER: MM_PBSA problem Xin Hu (Tue Apr 12 2005 - 09:09:36 PDT)
1. nmode_lig.in (172 bytes)
2. nmode_lig.1.out (1852 bytes)
3. sanmin_lig.in (269 bytes)
4. sanmin_lig.1.out (8892 bytes)
5. sanmin_lig.1.restrt (29900 bytes)
Re: AMBER: MM_PBSA problem Xin Hu (Wed Apr 13 2005 - 08:28:17 PDT)
1. config.h (3378 bytes)
AMBER: New parametrs Maciej (Mon Apr 18 2005 - 22:38:51 PDT)
1. library (5171 bytes)
AMBER: Re: RE: AMBER:Bond lengths aren't reasonable after minimisation. zhli_2000 (Wed Apr 20 2005 - 06:52:18 PDT)
1. W:_QSAR_MD_amber_cyclicimide_MD_4_cyc_opposite_minH.out (393521 bytes)
2. W:_QSAR_MD_amber_cyclicimide_MD_4_cyc_opposite_minall.out (392551 bytes)
AMBER: Amber Installation pmullins (Fri Apr 22 2005 - 11:28:34 PDT)
1. 04-22.txt (39777 bytes)
AMBER: A problem in TI approach - test case: meth2eth and eth2meth Ilyas Yildirim (Mon Apr 25 2005 - 18:47:19 PDT)
1. eth2meth.inpcrd (1158 bytes)
2. frcmod.dummy (251 bytes)
3. eth2meth.pdb (1727 bytes)
4. meth2eth.inpcrd (1158 bytes)
5. meth2eth.prmtop (17422 bytes)
6. test_job.pl (2668 bytes)
7. create_files.pl (591 bytes)
8. leap.log (11553 bytes)
9. eth2meth_lambda_vs_dvdl_cut_10 (899 bytes)
10. eth2meth_lambda_vs_dvdl_cut_30 (899 bytes)
11. meth2eth_lambda_vs_dvdl_cut_10 (964 bytes)
12. meth2eth_lambda_vs_dvdl_cut_30 (964 bytes)
13. eth2meth.prmtop (17474 bytes)
AMBER: emilia wu (Wed Apr 27 2005 - 19:35:59 PDT)
1. ligand.doc (29184 bytes)