[AMBER] math operations in cpptraj

From: Andre C. Stiel <andre.stiel.tuebingen.mpg.de>
Date: Mon, 09 Dec 2013 17:26:14 +0100

hi, is there a simple way to do math automatically on a dataset in ptraj.
Like, for example, generating phi-psi-angles for all residues over all
frames and then for every residue
subtract the first frame angles, to have only the difference and look
for major changes?

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Received on Mon Dec 09 2013 - 08:30:02 PST
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