From: Michael Grabe (mgrabe_at_itsa.ucsf.edu)
Date: Fri Dec 05 2003 - 13:14:54 CST
Dear NAMD,
I am trying to use binary output files from my last run to restart my
new run. I usually don't do this, I just use ASCII. But I get this error
from NAMD2.5b1 when I try to restart:
%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%
Info: Configuration file is md.in
TCL: Suspending until startup complete.
FATAL ERROR: coordinates not found in the configuration file!
Charm++ fatal error:
FATAL ERROR: coordinates not found in the configuration file!
Abort
%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%
I see that my binary coordinate file actually does exist in the current
directory, and everything is specified correctly in the namd script
(i think so at least). Is there a binary problem on the Mac OSX version?
I didn't port my binary files between platforms.
The relevant portion of the NAMD script is:
%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%
# protocol params
numsteps 100
# initial config
bincoordinates wt0_eq1.coor
binvelocities wt0_eq1.vel
%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%
If anyone has seen this problem, I would appreciate some advice,
especially if I am forgetting something.
Thanks,
Michael
------------------------------------------------------------------------
--------------------------
Michael Grabe, Ph.D.
Post-doctoral Fellow
Howard Hughes Medical Institute
University of California, San Francisco
533 Parnassus Ave.
San Francisco, CA 94143
mgrabe_at_itsa.ucsf.edu
tel: ++ 415.476.6585
http://itsa.ucsf.edu/~mgrabe
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