[AMBER] hbond in Ambertools

From: Neha Gandhi <n.gandhiau.gmail.com>
Date: Thu, 5 Sep 2013 15:31:47 +0800

Hi there,

I have been checking mailing list of AMBER for hbond command of ptraj.

My input script is
hbond donormask :11.N :11.H acceptormask :9.O3P,9.O2P,9.O1P :9.H out
GlyNH-t1p.out avgout GlyNH-t1pavg.dat

I want to monitor hydrogen bond along the time frames only between
residues NH.11 and side-chain of residue 9 and not all hydrogen bond
donors and acceptors with either residue 11 or 9.

Is it possible using ptraj or cpptraj?

Your help is appreciated.
Dr. Neha S. Gandhi,
Curtin Research Fellow,
School of Biomedical Sciences,
Curtin University,
Perth GPO U1987
Research Gate
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Received on Thu Sep 05 2013 - 01:00:03 PDT
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