[AMBER] H-bond information

From: Beale, John <jbeale.stlcop.edu>
Date: Thu, 12 Feb 2009 09:32:30 -0600

Is there a way to use ptraj to extract hydrogen bonding information from
MD for a peptide without having to specify, in the ptraj.in file, all of
the individual acceptors and donors? Is there a "wild card"? I am
working with a 34-mer and would like to extract this information.

 

John

 

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Received on Fri Feb 13 2009 - 01:19:36 PST
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