AMBER Archive (2009)

Subject: [AMBER] H-bond information

From: Beale, John (jbeale_at_stlcop.edu)
Date: Thu Feb 12 2009 - 09:32:30 CST

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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