Hey,
I am trying to use ptraj to split my sander.LES trajectory into multiple trajectories
based on the number of copies. However, I am only getting a single output file that
corresponds to either just one copy or an average of all the copies. Here is my
ptraj input...
trajin gfp_wt_les1.mdcrd 100 10000 100
center .CA origin mass
image origin
trajout output.pdb pdb append les split
Does anyone have a solutions to this problem?
Thanks,
Jim Snyder
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Received on Fri Aug 09 2013 - 17:30:02 PDT
