Look the tutorials for ptraj
http://ambermd.org/tutorials/basic/tutorial5/
On Thu, Sep 5, 2013 at 1:01 PM, Neha Gandhi <n.gandhiau.gmail.com> wrote:
> 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
>
> _______________________________________________
> AMBER mailing list
> AMBER.ambermd.org
> http://lists.ambermd.org/mailman/listinfo/amber
>
--
SHESH NATH
RESEARCH SCHOLAR,
THEORETICAL CONDENSED MATTER PHYSICS,
DEPARTMENT OF PHYSICS,
BANARAS HINDU UNIVERSITY,
VARANASI-221005
_______________________________________________
AMBER mailing list
AMBER.ambermd.org
http://lists.ambermd.org/mailman/listinfo/amber
Received on Thu Sep 05 2013 - 02:30:02 PDT
