Hello Amber Experts,
I am running the following script to combine trajectory files, with
$ptraj prmtop < combine:
trajin md3.mdcrd
trajin md4.mdcrd
trajin ...
trajin md12.mdcrd
trajout mdall.mdcrd
For reasons beyond me, there is something wrong with md10.mdcrd:
PTRAJ: trajin md9.mdcrd
Checking coordinates: md9.mdcrd
PTRAJ: trajin md10.mdrcd
Checking coordinates: md10.mdrcd
Could not open file (md10.mdrcd) with mode (r)
trajin md10.mdrcd ignored; could not open file (md10.mdrcd)
PTRAJ: trajin md11.mdcrd
Checking coordinates: md11.mdcrd
Similar error messages are in the AMBER archives, but I did specify
the prmtop file (
http://archive.ambermd.org/200503/0312.html) and the
permissions on all of the files are identical. This is a 64 bit
machine and the file is ~110 MB
(
http://structbio.vanderbilt.edu/archives/amber-archive/2005/3108.php).
Can this be fixed or do I have to re-run the simulation?
Thanks for your time!
-Dave
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Received on Tue Jul 19 2011 - 06:30:03 PDT
