Amber Archive Jun 2005: by messages with attachments

Re: RE: RE: AMBER: Antechamber RESP failed for large organic molecule junwang (Wed Jun 01 2005 - 14:18:05 PDT)
1. ANTECHAMBER_RESP1.IN (1596 bytes)
2. ANTECHAMBER_RESP2.IN (1622 bytes)
AMBER: SHAKE in md with partial solvation Ye Mei (Sun Jun 05 2005 - 00:30:00 PDT)
1. md.in (1393 bytes)
2. md0.in (1380 bytes)
3. min.in (1225 bytes)
AMBER: Solvate question? Anthony Cruz (Mon Jun 06 2005 - 03:30:44 PDT)
1. protme2.jpeg (66943 bytes)
2. protme.jpeg (72162 bytes)
Re: AMBER: Solvate question? Anthony Cruz (Mon Jun 06 2005 - 08:59:06 PDT)
1. protme2.jpeg (66943 bytes)
Re: AMBER: nucgen problem cbala.igib.res.in (Tue Jun 07 2005 - 12:48:13 PDT)
1. GCAT.doc (100352 bytes)
AMBER: Compile Problems of Parallel Amber8 on Mac G5 Suxin Zheng (Wed Jun 08 2005 - 16:02:23 PDT)
1. config.h (5162 bytes)
2. make_paraller1.err (105366 bytes)
AMBER: Make Distance restraints for non-standard residues gtg549i.mail.gatech.edu (Fri Jun 10 2005 - 08:47:41 PDT)
1. 7col.dist (46 bytes)
2. compl_cP3.pdb (58442 bytes)
AMBER: leap issues on a powerbook justin litchfield (Sun Jun 12 2005 - 16:21:02 PDT)
1. makeamberins (384 bytes)
2. pore_deprotonated.pdb (73630 bytes)
3. stxagain.mol2 (4142 bytes)
4. leap.log (64674 bytes)
Re: AMBER: Installation problem. . Andreas Svrcek-Seiler (Wed Jun 15 2005 - 05:31:46 PDT)
1. config.h (3547 bytes)
AMBER: Cut pdb files Yogesh Sabnis (Thu Jun 16 2005 - 00:57:18 PDT)
1. leap.log (62539 bytes)
AMBER: antechamber problems hj zou (Fri Jun 17 2005 - 06:32:27 PDT)
1. test.tar.gz (303313 bytes)
AMBER: antechamber problems hj zou (Sun Jun 19 2005 - 06:50:08 PDT)
1. test.tar.gz (303313 bytes)
AMBER: average structure emilia wu (Sun Jun 19 2005 - 17:15:53 PDT)
1. leap.rar (63906 bytes)
AMBER: PBSA error: PB bomb in pd_aaradi Xin Hu (Wed Jun 22 2005 - 07:34:13 PDT)
1. pbsa_lig.1.out (4913 bytes)
2. lig_vac.prmtop (14483 bytes)
AMBER: TI-FEP for ALA --> GLY Jiten (Fri Jun 24 2005 - 22:07:03 PDT)
1. FEP.in (1321 bytes)
Re: AMBER: TI-FEP for ALA --> GLY Jiten (Mon Jun 27 2005 - 19:24:56 PDT)
1. tmp.jpg (51274 bytes)
AMBER: Fw: TI tutorial --> ALA --> GLY TI calculation Jiten (Tue Jun 28 2005 - 08:02:42 PDT)
1. tmp3.tif (36282 bytes)
Re: AMBER: Re: TI tutorial Jiten (Tue Jun 28 2005 - 09:36:59 PDT)
1. tmp3.tif (36282 bytes)
AMBER: calculating hydrogen bonds Vijay Manickam Achari (Tue Jun 28 2005 - 19:50:36 PDT)
1. hbond_out.dat (214131 bytes)
Re: AMBER: Re: TI tutorial Jiten (Tue Jun 28 2005 - 20:46:17 PDT)
1. tmp3.tif (36282 bytes)
2. tmp4.tif (39754 bytes)
Re: AMBER: Is the MD simulation normal Shulin Zhuang (Wed Jun 29 2005 - 03:11:53 PDT)
1. Superimposition_of_the_ligands.doc (718336 bytes)
Re: AMBER: Re: TI tutorial Jiten (Wed Jun 29 2005 - 09:22:04 PDT)
1. tmp5.jpg (46321 bytes)

Amber Archive Jun 2005 by messages with attachments