Amber Archive Mar 2007 by messages with attachments
406 messages
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Starting
Sun Mar 04 2007 - 06:07:36 PST,
Ending
Sun Apr 01 2007 - 06:08:06 PDT
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RE: AMBER: Restart Files
Steve Seibold
(Fri Mar 02 2007 - 11:52:39 PST)
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)
table_editor.pdf
(101762 bytes)
Re: AMBER: psi , phi angles
Piotr Cieplak
(Mon Mar 05 2007 - 10:30:46 PST)
impose_problem.tar
(143360 bytes)
AMBER: DHAS_10_12 compilation aborted for egb.f
Jesus Angulo
(Tue Mar 06 2007 - 06:31:28 PST)
image002.gif
(102 bytes)
AMBER: Topology file problem in TI !
Pradipta Bandyopadhyay
(Wed Mar 07 2007 - 03:08:39 PST)
i2v_prob.off
(3416 bytes)
Re: AMBER: problem while analysing result
Syed Tarique Moin
(Tue Mar 13 2007 - 23:43:59 PDT)
process_mdout.perl
(6712 bytes)
AMBER: Segmentation fault (iforrtoccurs during minimization (Amber 9)
Eric Shamay
(Wed Mar 14 2007 - 18:12:49 PDT)
hno3box.top
(482445 bytes)
hno3box.crd
(97536 bytes)
hno3box.min.mdout
(11920 bytes)
AMBER: Problem related simulation of dimer
priya priya
(Thu Mar 15 2007 - 04:23:31 PDT)
ABM16_watff_md_50ps_dump.pdb
(24602 bytes)
AMBER: Dipolar and Inertia Moments
kepa koldo burusco
(Thu Mar 15 2007 - 04:46:17 PDT)
inertia.trajin
(195 bytes)
GLI_lin_stp2.inx
(1356 bytes)
GLI_lin_stp2.iny
(1356 bytes)
GLI_lin_stp2.inz
(1356 bytes)
Re: AMBER: Problem related simulation of dimer
priya priya
(Sun Mar 18 2007 - 22:35:42 PDT)
ABM16_watff_test_dimer.pdb
(25804 bytes)
Re: AMBER: Problem related simulation of dimer
Sandeep Kaushik
(Mon Mar 19 2007 - 04:16:39 PDT)
ABM1.png
(39928 bytes)
ABM.pdb
(25809 bytes)
AMBER: Problem while loading Pdb in xleap
Anju Sharma
(Tue Mar 20 2007 - 21:12:55 PDT)
Original.pdb
(7857 bytes)
str.pdb
(4860 bytes)
AMBER: xLeAP: TI calculation: the perturbed charge is not integral
Ignacio Faustino
(Wed Mar 21 2007 - 12:17:12 PDT)
editor_table.pdf
(53275 bytes)
ignacio.faustino.vcf
(268 bytes)
AMBER: TI calculation: the perturbed charge is not integral
Ignacio Faustino
(Wed Mar 21 2007 - 12:21:52 PDT)
ignacio.faustino.vcf
(268 bytes)
Re: AMBER: Error - must define AMBERHOME environment variable
bertrand russell
(Mon Mar 26 2007 - 02:03:56 PDT)
possbl_failure
(14035 bytes)
Re: AMBER: Error - must define AMBERHOME environment variable
bertrand russell
(Mon Mar 26 2007 - 10:12:57 PDT)
TEST_FAILURES.diff
(4612 bytes)
RE: AMBER: pmemd segmentation fault
Ross Walker
(Mon Mar 26 2007 - 10:46:48 PDT)
config.h.pmemd.mpi
(1252 bytes)
AMBER: minimization not running
deepti nayar
(Thu Mar 29 2007 - 02:57:15 PDT)
min.in
(137 bytes)
AMBER: Sander error : Coordinate resetting (SHAKE) cannot be accomplished
Pankaj R. Daga
(Thu Mar 29 2007 - 20:59:08 PDT)
eqlib.in
(367 bytes)
eqlib1.in
(331 bytes)
AMBER: minimization + simulation
deepti nayar
(Fri Mar 30 2007 - 00:54:03 PDT)
min.in
(182 bytes)
AMBER: RST can not be opened
deepti nayar
(Fri Mar 30 2007 - 02:21:58 PDT)
min.in
(236 bytes)
Last message date
:
Sun Apr 01 2007 - 06:08:06 PDT
Archived on
: Wed Dec 11 2024 - 05:53:28 PST
406 messages
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