Hello Dr. Simmerling,
Here is the ptraj script for the mdcrd file as requested.
> $AMBERHOME/exe/ptraj trajin 1nsMD_040408.mdcrd
When I am attempting this command now however, I am getting a different error message and not the one that I previously sent to you.
Amber8 Module: ptraj
Could not open file (trajin) with mode (r)
ERROR in ptrajInitializeState(): Attempting to open parameter/topology file trajin
Suggestions will be warmly appreciated.
Pat
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Received on Wed Jun 04 2008 - 06:07:31 PDT
