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