[AMBER] Contact analysis using cpptraj

From: Kucharski Jr., Amir N <amir.kucharski.uky.edu>
Date: Wed, 13 Jan 2016 15:25:22 +0000


I am trying to use the contacts analysis tool in cpptraj in order to see what residues are contacting. That is, I would like to get data that reports something along these lines:

"res1 res2 X%" , where X% is the percentage of time from the CHARMM dcd that the C-alpha atoms of res1 and res2 are within the cutoff distance. I tried using the byresidue tag and that did not work. Any help is much appreciated.



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Received on Wed Jan 13 2016 - 07:30:05 PST
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