Amber Archive Oct 2006: by messages with attachments

AMBER: ptraj hbond analysis troubles Sayandeep Purkayasth (Wed Oct 04 2006 - 14:14:10 PDT)
1. l42b18_0.pdb (146500 bytes)
AMBER: Building polymer with sequence command gtg549i.mail.gatech.edu (Thu Oct 05 2006 - 09:46:11 PDT)
1. leap.log (10421 bytes)
2. polyamine.prepin (1808 bytes)
3. polyamine.frcmod (62 bytes)
AMBER: generating resp input files with antechamber dhruva chakravorty (Thu Oct 05 2006 - 12:53:03 PDT)
1. retry_sub.log (216498 bytes)
AMBER: water prmtop/inpcrd problem Akshay Patny (Thu Oct 05 2006 - 18:08:59 PDT)
1. water_mod2.pdb (2059 bytes)
2. mod2.inpcrd (1324 bytes)
3. mod2.prmtop (11892 bytes)
4. mod2.pdb (2466 bytes)
Re: AMBER: LEAP error Akshay Patny (Fri Oct 06 2006 - 16:17:05 PDT)
1. input_try1.pdb (3691 bytes)
2. try1.pdb (8663 bytes)
3. try1.inpcrd (4712 bytes)
4. try1.prmtop (57236 bytes)
5. try2.pdb (6974 bytes)
RE: AMBER: LEAP error (Test Case) Akshay Patny (Mon Oct 09 2006 - 08:37:18 PDT)
1. DMPC_mono_sybyl.mol2 (12854 bytes)
2. DMPC_bcc.prep (9004 bytes)
3. DMPC_frcmod (63 bytes)
4. input_try1.pdb (3690 bytes)
5. try1.pdb (8530 bytes)
6. try1.inpcrd (4645 bytes)
7. try1.prmtop (56516 bytes)
8. try2.pdb (6973 bytes)
AMBER: Grid command of ptraj Atsutoshi Okabe (Sat Oct 14 2006 - 00:31:01 PDT)
1. wat.rar (278607 bytes)
2. image.jpg (111175 bytes)
AMBER: Problem loading peptoid residues with antechamber nur avneet (Tue Oct 17 2006 - 23:23:42 PDT)
1. Cnval.pdb (1665 bytes)
2. Cnval.prepin (1610 bytes)
3. Nnval.pdb (1755 bytes)
4. Nnval.prepin (1662 bytes)
5. nval.pdb (1575 bytes)
6. nval.prepin (1516 bytes)
RE: AMBER: Amber9 serial installation -tests- severe (174): SIGSEGV, segmentation fault occurred Ross Walker (Thu Oct 19 2006 - 12:24:43 PDT)
1. divcon_intel.bugfix (8440 bytes)
AMBER: Issue with installation of Amber v9.0 parallel compilation Pravin_Kumar.jubilantbiosys.com (Thu Oct 19 2006 - 21:17:51 PDT)
1. amber_error.txt (19172 bytes)
2. config.h (3448 bytes)
RE: AMBER: Amber9 serial installation -tests- severe (174): SIGSEGV, segmentation fault occurred Maniopoulou, A \(Mina\) (Fri Oct 20 2006 - 03:27:29 PDT)
1. TEST_FAILURES.diff (69863 bytes)
AMBER: Probelm with running Amber 9 parallelly Rafi Ahmad (Fri Oct 20 2006 - 07:29:14 PDT)
1. heat.out.scampi (14652 bytes)
2. heat.in (1355 bytes)
3. heat.out.mpich (13222 bytes)
RE: AMBER: Amber9 serial installation -tests- severe (174): SIGSEGV, segmentation fault occurred Ross Walker (Fri Oct 20 2006 - 09:06:49 PDT)
1. bugfix.all (51515 bytes)
AMBER: ff for drug-dna complex and drug atom types assignment Kateryna Miroshnychenko (Mon Oct 23 2006 - 09:08:59 PDT)
1. chromophore.jpg (39738 bytes)
RE: AMBER: Question regarding lastrst and taup Priti Hansia (Wed Oct 25 2006 - 21:58:10 PDT)
1. 2pel.0000_0010.in (454 bytes)
2. 2pel.0010_0020.in (454 bytes)
3. 2pel.0020_0030.in (454 bytes)
4. 2pel.md.in (397 bytes)
Re: AMBER: problem installing amber9 with g95 gcc on a fc5 m/c Sayandeep Purkayasth (Fri Oct 27 2006 - 18:25:37 PDT)
1. stderr.out.tar.gz (5557 bytes)
2. std.out.tar.gz (37009 bytes)
AMBER: how to restrain some residues in a NPT MD? Zhihong Yu (Mon Oct 30 2006 - 07:20:38 PST)
1. equ_product.in (441 bytes)

Amber Archive Oct 2006 by messages with attachments