Amber Archive Dec 2005 by messages with attachments

AMBER: Creating an Ester with Antechamber/Gaff John O'Mahony (Thu Dec 01 2005 - 01:46:40 PST)
1. edma.pdb (1885 bytes)
AMBER: Replica-Exchange MD from AMBER8! Peng Tao (Fri Dec 02 2005 - 14:28:27 PST)
1. remdrun.tar.gz (28014 bytes)
AMBER: ERROR in readParm: ...failed to find BONDS_WITHOUT_HYDROGEN Rhoad, Jonathan S. (Fri Dec 02 2005 - 15:02:36 PST)
1. nacl.ptraj (52 bytes)
2. nacl.top (6696 bytes)
3. mdnacl.crd (9832 bytes)
AMBER: parmchk bug fix, with attachment David A. Case (Fri Dec 02 2005 - 20:33:20 PST)
1. patch (591 bytes)
Re: AMBER: Replica-Exchange MD from AMBER8! Peng Tao (Sat Dec 03 2005 - 12:19:12 PST)
1. remdrun2.tar.gz (21250 bytes)
AMBER: 6-thioguanine E.A.Moore (Tue Dec 06 2005 - 06:31:59 PST)
1. TG.doc (5040 bytes)
AMBER: MM_PBSA parameters Nelson Fonseca (Tue Dec 06 2005 - 07:26:55 PST)
1. signature.asc (481 bytes)
Re: AMBER: installation on a dual core Nelson Fonseca (Fri Dec 16 2005 - 06:14:22 PST)
1. signature.asc (481 bytes)
AMBER: No exchange among replicas in REMD! Peng Tao (Sun Dec 18 2005 - 14:11:06 PST)
1. remdcase.tar.gz (159746 bytes)
AMBER: Atoms restrain Angelo Pugliese (Mon Dec 19 2005 - 05:09:35 PST)
1. angelo.vcf (274 bytes)
AMBER: Ligand problem bybaker.itsa.ucsf.edu (Mon Dec 19 2005 - 16:40:22 PST)
1. n62ch1.pdb (246963 bytes)
2. chol2.parm (264 bytes)
3. chol2.prep (5836 bytes)
Re: AMBER: a quistion about compile snowyowls (Tue Dec 20 2005 - 05:30:07 PST)
1. config.h (3341 bytes)
AMBER: Re: Ligand problem bybaker.itsa.ucsf.edu (Tue Dec 20 2005 - 10:50:03 PST)
1. n62ch1.pdb (246963 bytes)
2. chol2.prep (5836 bytes)
3. chol2.parm (264 bytes)
Re: AMBER: antechamber problem bybaker.itsa.ucsf.edu (Wed Dec 21 2005 - 21:39:24 PST)
1. chol3.pdb (4966 bytes)
2. chol3.parm (264 bytes)
3. chol3.prep (5835 bytes)
4. n62ch1c.pdb (231087 bytes)
AMBER: building amino acid based surfactants? Eugene Billiot (Mon Dec 26 2005 - 13:25:33 PST)
1. basic_structure_of_dipeptide_surfactants.ppt (68096 bytes)
Re: AMBER: ERROR in readParm: ...failed to find ANGLES_INC_HYDROGEN Priti Hansia (Tue Dec 27 2005 - 09:35:41 PST)
1. prmtop (518332 bytes)
AMBER: problem of calculate the charge ping jiang (Tue Dec 27 2005 - 16:47:16 PST)
1. UAL.pdb (4233 bytes)
AMBER: problem of calculate the charge2 ping jiang (Tue Dec 27 2005 - 18:17:05 PST)
1. undecyl.pdb (2219 bytes)
Re: AMBER: antechamber problem Ilyas Yildirim (Fri Dec 30 2005 - 16:25:38 PST)
1. chol3_new.pdb (4966 bytes)
2. chol3_new.prep (5934 bytes)
3. n62ch1c_new.pdb (231091 bytes)

Last message date: Wed Jan 04 2006 - 18:17:07 PST
Archived on: Mon Dec 23 2024 - 05:53:24 PST

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