[AMBER] ptraj is not splitting LES trajectory

From: James W. Snyder, Jr. <jsnyder3.stanford.edu>
Date: Fri, 9 Aug 2013 17:02:21 -0700 (PDT)

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
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