[AMBER] Cpptraj h-bond

From: Rana Rehan Khalid <rrkhalid.umich.edu>
Date: Wed, 20 Jun 2018 20:37:26 +0300

Dear Amber users

I have performed h-bond analysis. In my h-bond gnuplot I have same residue
multiple interaction with same atom of ligand. For example heme-OAD(oxygen)
interact with R116. On y axis I have 3 interactions like heme.OAD -R116.H1
heme.OAD -R116.H2
heme.OAD -R116.H3
My question is that, can I have only 1 entry on y axis for this particular
interaction that represents the combine h1,h2,h3 fractional occupancy
rather then showing all atoms interaction of R116.

Kind Regards
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Received on Wed Jun 20 2018 - 11:00:02 PDT
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