Amber Archive Jul 2007: by messages with attachments

AMBER: Slight_error_on_Compiling_Replica_Exchange j j (Wed Jul 04 2007 - 01:57:28 PDT)
1. Slight_error_on_Compiling_Replica_Exchange.pdf (30898 bytes)
Re: AMBER: Problem with leaprc yen li (Wed Jul 04 2007 - 05:23:49 PDT)
1. 1.pdb (3025 bytes)
Re: AMBER: Could not find cntrl namelist Francesco Pietra (Mon Jul 09 2007 - 13:53:43 PDT)
1. eqaeqb_gb_md1_12Acut.out (2011 bytes)
RE: AMBER: Could not find cntrl namelist Francesco Pietra (Tue Jul 10 2007 - 14:11:48 PDT)
1. divcon.out (13440 bytes)
2. eqmecycl.inpcrd (778 bytes)
3. eqmecycl.pdb (1428 bytes)
4. eqmecycl.prepin (1892 bytes)
5. eqmecycl.prmtop (15462 bytes)
6. eqmecycl_vac_md1_12Acut.out (2011 bytes)
7. mdinfo (384 bytes)
8. vac_min.in (144 bytes)
RE: AMBER: Could not find cntrl namelist Ross Walker (Tue Jul 10 2007 - 14:57:39 PDT)
1. eqmecycl.inpcrd (779 bytes)
2. eqmecycl.prmtop (15463 bytes)
3. vac_min.in (145 bytes)
4. vac_min.out (10094 bytes)
5. vac_min.rst (779 bytes)
AMBER: MPI Quiescence problem in REMD In Hee Park (Tue Jul 10 2007 - 21:03:08 PDT)
1. REMD.result (5072 bytes)
2. REMD-pr-Texchange.out (5150 bytes)
3. REMD.result (5071 bytes)
4. REMD-Texchange.out (14609 bytes)
Re: AMBER: Could not find cntrl namelist Francesco Pietra (Wed Jul 11 2007 - 08:10:42 PDT)
1. errors (1362 bytes)
2. vac_md1_12Acut.in (202 bytes)
3. eqmecycl_vac_md1_12Acut.out (2318 bytes)
Re: AMBER: program bug? M. Maeda (Wed Jul 11 2007 - 21:41:34 PDT)
1. b1_md2_181.jpg (247588 bytes)
2. b1_md2_189.jpg (211393 bytes)
3. b1_md2_moe.jpg (264069 bytes)
Re: AMBER: Known residue, unknown error in teLeap Neelanjana Sengupta (Tue Jul 17 2007 - 11:58:12 PDT)
1. ambertrans1.pdb (1886 bytes)
2. nh2_lib (1380 bytes)
AMBER: DNA RNA recognition problem Steve Seibold (Thu Jul 19 2007 - 06:51:43 PDT)
1. Helixleap.in (109 bytes)
2. ATPNTP2.pdb (65584 bytes)
3. leap.log (12101 bytes)
AMBER: GDP UNKNOWN ATOM TYPE: O3 warning j j (Sat Jul 21 2007 - 10:21:32 PDT)
1. GDP.prep (3526 bytes)
2. GDP.dat (1727 bytes)
3. GDP.pdb (2688 bytes)
4. load_4GDP.leap (293 bytes)
5. leap.log (9527 bytes)
6. leap_GDP.log (1787 bytes)
7. GDP_loaded.PARM (29008 bytes)
8. GDP_loaded.INPCRD (1468 bytes)
9. imake.log (64481 bytes)
10. make.log (14842 bytes)
AMBER: SHAKE failure in TI calculation of zero sum model system of "ethane-to-ethane" in water Ye Mei (Mon Jul 23 2007 - 06:00:34 PDT)
1. step1.group (238 bytes)
2. step1.in (275 bytes)
3. 0.prepc (1171 bytes)
4. 1.prepc (1229 bytes)
5. frcmod (394 bytes)
6. leap.in (488 bytes)
7. md2.rst (259399 bytes)
8. 0_wat_step1.out (6829 bytes)
9. 1_wat_step1.out (7077 bytes)
Re: AMBER: parallel compilation Francesco Pietra (Mon Jul 23 2007 - 23:19:56 PDT)
1. errors.log (196948 bytes)
Re: Re: AMBER: parallel compilation Francesco Pietra (Tue Jul 24 2007 - 00:17:03 PDT)
1. config.h (3369 bytes)
Fwd: Re: Re: AMBER: parallel compilation Francesco Pietra (Tue Jul 24 2007 - 00:19:58 PDT)
1. config.h (3369 bytes)
Re: Fwd: Re: Re: AMBER: parallel compilation Ye Mei (Tue Jul 24 2007 - 03:07:31 PDT)
1. config.h (3706 bytes)
AMBER: Amber9 parallel compilation openmpi issues Francesco Pietra (Tue Jul 24 2007 - 23:24:22 PDT)
1. config.hREN (3368 bytes)
2. errors.logREN (196937 bytes)
AMBER: Fwd: Amber9 parallel compilation openmpi issues Francesco Pietra (Wed Jul 25 2007 - 06:24:10 PDT)
1. config.hREN (3368 bytes)
2. errors.logREN (196937 bytes)
Re: AMBER: Amber9 parallel compilation openmpi issues Benjamin Juhl (Wed Jul 25 2007 - 07:18:28 PDT)
1. config_parallel.h (4081 bytes)
Fwd: Re: AMBER: Fwd: Amber9 parallel compilation openmpi issues Francesco Pietra (Wed Jul 25 2007 - 15:01:40 PDT)
1. TEST_FAILURES (13002 bytes)
AMBER: Problem while creating input files in antechamber Anju Sharma (Mon Jul 30 2007 - 22:33:12 PDT)
1. mtx2.pdb (3567 bytes)

Amber Archive Jul 2007 by messages with attachments