Amber Archive Mar 2007: by messages with attachments

RE: AMBER: Restart Files Steve Seibold (Fri Mar 02 2007 - 11:52:39 PST)
1. LIP4NWMD8.out (5935 bytes)
AMBER: TI calculation: charge is not zero in the perturbed state brmeher.iitg.ernet.in (Sat Mar 03 2007 - 12:32:02 PST)
1. table_editor.pdf (101762 bytes)
Re: AMBER: psi , phi angles Piotr Cieplak (Mon Mar 05 2007 - 10:30:46 PST)
1. impose_problem.tar (143360 bytes)
AMBER: DHAS_10_12 compilation aborted for egb.f Jesus Angulo (Tue Mar 06 2007 - 06:31:28 PST)
1. image002.gif (102 bytes)
AMBER: Topology file problem in TI ! Pradipta Bandyopadhyay (Wed Mar 07 2007 - 03:08:39 PST)
1. i2v_prob.off (3416 bytes)
Re: AMBER: problem while analysing result Syed Tarique Moin (Tue Mar 13 2007 - 23:43:59 PDT)
1. process_mdout.perl (6712 bytes)
AMBER: Segmentation fault (iforrtoccurs during minimization (Amber 9) Eric Shamay (Wed Mar 14 2007 - 18:12:49 PDT)
1. hno3box.top (482445 bytes)
2. hno3box.crd (97536 bytes)
3. hno3box.min.mdout (11920 bytes)
AMBER: Problem related simulation of dimer priya priya (Thu Mar 15 2007 - 04:23:31 PDT)
1. ABM16_watff_md_50ps_dump.pdb (24602 bytes)
AMBER: Dipolar and Inertia Moments kepa koldo burusco (Thu Mar 15 2007 - 04:46:17 PDT)
1. inertia.trajin (195 bytes)
2. GLI_lin_stp2.inx (1356 bytes)
3. GLI_lin_stp2.iny (1356 bytes)
4. GLI_lin_stp2.inz (1356 bytes)
Re: AMBER: Problem related simulation of dimer priya priya (Sun Mar 18 2007 - 22:35:42 PDT)
1. ABM16_watff_test_dimer.pdb (25804 bytes)
Re: AMBER: Problem related simulation of dimer Sandeep Kaushik (Mon Mar 19 2007 - 04:16:39 PDT)
1. ABM1.png (39928 bytes)
2. ABM.pdb (25809 bytes)
AMBER: Problem while loading Pdb in xleap Anju Sharma (Tue Mar 20 2007 - 21:12:55 PDT)
1. Original.pdb (7857 bytes)
2. str.pdb (4860 bytes)
AMBER: xLeAP: TI calculation: the perturbed charge is not integral Ignacio Faustino (Wed Mar 21 2007 - 12:17:12 PDT)
1. editor_table.pdf (53275 bytes)
2. ignacio.faustino.vcf (268 bytes)
AMBER: TI calculation: the perturbed charge is not integral Ignacio Faustino (Wed Mar 21 2007 - 12:21:52 PDT)
1. ignacio.faustino.vcf (268 bytes)
Re: AMBER: Error - must define AMBERHOME environment variable bertrand russell (Mon Mar 26 2007 - 02:03:56 PDT)
1. possbl_failure (14035 bytes)
Re: AMBER: Error - must define AMBERHOME environment variable bertrand russell (Mon Mar 26 2007 - 10:12:57 PDT)
1. TEST_FAILURES.diff (4612 bytes)
RE: AMBER: pmemd segmentation fault Ross Walker (Mon Mar 26 2007 - 10:46:48 PDT)
1. config.h.pmemd.mpi (1252 bytes)
AMBER: minimization not running deepti nayar (Thu Mar 29 2007 - 02:57:15 PDT)
1. min.in (137 bytes)
AMBER: Sander error : Coordinate resetting (SHAKE) cannot be accomplished Pankaj R. Daga (Thu Mar 29 2007 - 20:59:08 PDT)
1. eqlib.in (367 bytes)
2. eqlib1.in (331 bytes)
AMBER: minimization + simulation deepti nayar (Fri Mar 30 2007 - 00:54:03 PDT)
1. min.in (182 bytes)
AMBER: RST can not be opened deepti nayar (Fri Mar 30 2007 - 02:21:58 PDT)
1. min.in (236 bytes)

Amber Archive Mar 2007 by messages with attachments