From: Liu, Zhanwu (LiuxZx_at_anes.upmc.edu)
Date: Mon Sep 22 2003 - 20:53:13 CDT
Dear Jim,
I am trying to use the new command "coorfile" to analyze trajectories,
but it seems like doesn't working in my case. Part of the output file
is enclosed. Do you have any idea where the error come from?
Thanks
Yours Zhanwu
Zhanwu Liu, Ph.D.
Department of Anesthesiology
University of Pittsburgh
==========================
Info: Entering startup phase 0 with 7865 kB of memory in use.
Info: Entering startup phase 1 with 7865 kB of memory in use.
Info: Entering startup phase 2 with 10503 kB of memory in use.
Info: Entering startup phase 3 with 10753 kB of memory in use.
Info: PATCH GRID IS 3 (PERIODIC) BY 2 (PERIODIC) BY 3 (PERIODIC)
Info: REMOVING COM VELOCITY 0 0 0
Info: LARGEST PATCH (0) HAS 944 ATOMS
Info: Entering startup phase 4 with 13246 kB of memory in use.
Info: Entering startup phase 5 with 13246 kB of memory in use.
Info: Entering startup phase 6 with 13246 kB of memory in use.
Info: Entering startup phase 7 with 13247 kB of memory in use.
Info: COULOMB TABLE R-SQUARED SPACING: 0.0625
Info: COULOMB TABLE SIZE: 769 POINTS
Info: NONZERO IMPRECISION IN COULOMB TABLE: 0 (0) 6.31089e-30 (712)
Info: NONZERO IMPRECISION IN COULOMB TABLE: 0 (0) 7.7755e-23 (712)
Info: Entering startup phase 8 with 17739 kB of memory in use.
Info: Finished startup with 20177 kB of memory in use.
read_dcdreader returned -6
TCL: coorfile: Error opening file /tmp/zliu4/test.dcd
FATAL ERROR: coorfile: Error opening file /tmp/zliu4/test.dcd
while executing
"coorfile open dcd "/tmp/zliu4/test.dcd""
(file "AnalysisScript.conf" line 45)
FATAL ERROR: coorfile: Error opening file /tmp/zliu4/test.dcd
while executing
"coorfile open dcd "/tmp/zliu4/test.dcd""
(file "AnalysisScript.conf" line 45)
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