Amber Archive Nov 2007 by messages with attachments

369 messages: Starting Sun Nov 04 2007 - 06:07:21 PST, Ending Sun Dec 02 2007 - 06:07:41 PST
This period: Most recent messages
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RE: AMBER: &dipoles output in QM/MM simulations Ross Walker (Thu Nov 01 2007 - 10:12:52 PDT)
1. qmmm_mchg_dipoles.patch (4440 bytes)
Re: AMBER:antechamber fails with large molecules Junmei Wang (Thu Nov 01 2007 - 23:29:11 PDT)
1. respgen.c (12454 bytes)
AMBER: Request reg parameter for vitamin e Rama krishnan (Mon Nov 05 2007 - 23:13:51 PST)
1. vit.pdb (3208 bytes)
2. leap.log.log (52702 bytes)
AMBER: Request reg parameter for vitamin e Rama krishnan (Mon Nov 05 2007 - 23:11:47 PST)
1. vit.pdb (3208 bytes)
2. leap.log.log (52702 bytes)
AMBER: MD simulations with Pt atom - how to keep square planar geometry? Pablo Englebienne (Wed Nov 07 2007 - 18:21:21 PST)
1. frcmod (4448 bytes)
2. dummy_rest.top (24460 bytes)
3. nodummy_500.top (22565 bytes)
4. dummy.crd (1435 bytes)
5. nodummy_500.crd (1368 bytes)
6. md_rest.in (244 bytes)
Re: AMBER: Amber 9: Generating Input files for EVB simulations of the crosslinked structures (Hydrogels) sanket deshmukh (Thu Nov 08 2007 - 11:29:35 PST)
1. METACR.pdb (37291 bytes)
Re: AMBER: Problem with xLeap alfredoq.mail.fcq.unc.edu.ar (Tue Nov 13 2007 - 09:07:40 PST)
1. ALA.jpg (3532 bytes)
AMBER: antechamber --> sander problem Yamada, Takahiro (Fri Nov 16 2007 - 12:18:18 PST)
1. bnb3wb.pdb (152006 bytes)
2. bnb3.out (4573 bytes)
3. bnb3.PDB (2262 bytes)
4. bnb3.inpcrd (96845 bytes)
5. bnb3.prmtop (416127 bytes)
Re: AMBER: Amber 9: Generating Input files for EVB simulations of the crosslinked structures (Hydrogels) sanket deshmukh (Fri Nov 23 2007 - 15:30:11 PST)
1. hyd.pdb (2049 bytes)
AMBER: Re: antechamber problem Junmei Wang (Tue Nov 27 2007 - 09:38:17 PST)
1. test.pdb (1946 bytes)