I performed a simulation of 100 ns on a AC dinucleotide in water. this has
resulted in a large mdcrd file of 34 gigabytes.
I am trying to use ptraj to process this (to strip out the wat and cut it
to more manageable size but ptraj is unable to read it.
I get the following error
PTRAJ: trajin AC_wat_md3.mdcrd 1 10000 50000000
Checking coordinates: AC_wat_md3.mdcrd
Could not open file (AC_wat_md3.mdcrd) with mode (r)
WARNING in checkCoordinates(): Could not open file (AC_wat_md3.mdcrd)
WARNING in ptrajSetupIO(): trajin AC_wat_md3.mdcrd, cannot open file...
I am able to load the mdcrd file in vmd and see the trajectory, so
the file is fine.
Can you suggest me how to process this crd file
( are there any other methods to convert it to binpos etc ) or any other
way......
thank You
Vishal Kumar Jaiswal
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Received on Wed Jun 13 2012 - 11:30:04 PDT
