Amber Archive Oct 2008: by messages with attachments

AMBER: amber10 installation on sgi_mips Rima Chaudhuri (Wed Oct 01 2008 - 12:05:06 PDT)
1. make_parallel.log (32924 bytes)
2. configure_amber.log (565 bytes)
3. config_amber.h (3439 bytes)
4. netcdf_config.log (8207 bytes)
AMBER: Support for intel mpi in pmemd 10; better support for intel MKL Robert Duke (Thu Oct 02 2008 - 13:56:07 PDT)
1. pmemd10.patch2 (1208 bytes)
2. interconnect.intelmpi (129 bytes)
AMBER: Amber heme parameters Shaikh Abdul R S Ramaju (Mon Oct 06 2008 - 23:31:34 PDT)
1. amber_error.rtf (11577 bytes)
2. parm99_mod.dat (43430 bytes)
3. frcmod.heme_all (3462 bytes)
4. heme_all.in (8113 bytes)
5. 2H7S_mod.pdb (285128 bytes)
AMBER: Once again, with feeling --- Support for intel mpi in pmemd 10; better support for intel MKL Robert Duke (Tue Oct 07 2008 - 10:02:51 PDT)
1. pmemd10.patch2 (1524 bytes)
Re: AMBER: xleap fails to savemol2 taufik.alsarraj.utoronto.ca (Wed Oct 08 2008 - 14:57:30 PDT)
1. Surwaptames.mol2 (328610 bytes)
2. SMCC.mol2 (3731 bytes)
3. SMCCchrg.mol2 (3764 bytes)
RE: AMBER: saveamberparm error Shaikh Abdul R S Ramaju (Wed Oct 08 2008 - 19:24:58 PDT)
1. saveamberparm_error.rtf (21700 bytes)
Re: Re: RE: AMBER: the install problem hklwatergod (Tue Oct 14 2008 - 00:19:02 PDT)
1. netcdf_config.log (11981 bytes)
AMBER: antechamber errors oguz gurbulak (Fri Oct 17 2008 - 06:07:37 PDT)
1. heptanes.out (44503 bytes)
AMBER: scyld beowulf --amber10--openmpi Rima Chaudhuri (Mon Oct 20 2008 - 17:00:27 PDT)
1. config_amber.h (3620 bytes)
Re: AMBER: Non bond list error Robert Duke (Thu Oct 23 2008 - 13:44:29 PDT)
1. pmemd_memory_requirements.jpg (67450 bytes)
Re: AMBER: Problem installing PMEMD with intel mpi, ifort Robert Duke (Tue Oct 28 2008 - 18:12:17 PDT)
1. configure.10 (20712 bytes)
AMBER: MM_PBSA binding error Larry Layne (Thu Oct 30 2008 - 11:54:24 PDT)
1. extract_coords.log (228607 bytes)
2. extract_coords.mmpbsa (920 bytes)
3. binding_energy.mmpbsa (509 bytes)
4. binding_energy.log (17972 bytes)
5. DSLA.prmtop (30664 bytes)
6. snapshot_lig.crd.5 (2095 bytes)
Re: AMBER: Setting GROUP for pmemd Francesco Pietra (Thu Oct 30 2008 - 16:28:37 PDT)
1. equil4.in (314 bytes)
2. equil4.out (6718 bytes)
Re: AMBER: Setting GROUP for pmemd Robert Duke (Thu Oct 30 2008 - 19:02:05 PDT)
1. equil4.in (305 bytes)
RE: AMBER: MM_PBSA binding error Larry Layne (Fri Oct 31 2008 - 05:56:42 PDT)
1. pbsa_lig.5.out (10735 bytes)
Re: AMBER: problem with zMatrix in tleap WJ Ding (Fri Oct 31 2008 - 08:48:27 PDT)
1. problem_with_zmatrix (13752 bytes)

Amber Archive Oct 2008 by messages with attachments