[AMBER] Error in ptraj trajin

From: David Condon <dec986.gmail.com>
Date: Tue, 19 Jul 2011 09:11:03 -0400

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

Can this be fixed or do I have to re-run the simulation?

Thanks for your time!

AMBER mailing list
Received on Tue Jul 19 2011 - 06:30:03 PDT
Custom Search