I have been doing some hydrogen bond analysis and have obtained occupancies
and other data for solute-solute hydrogen bonds using AMBER 13.
I would like to output some frames from the trajectory based on this
analysis, so that I can look at structures that have certain specific
hydrogen bonds. e.g. If there is a hbond between res37 and res44, I would
like to output all frames that possess this interaction.
Is there any way to do this with cpptraj?
many thanks for your assistance.
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Received on Tue Sep 23 2014 - 05:00:03 PDT
