On Fri, Aug 19, 2011 at 7:19 PM, mirage . <m.o.m.live.fr> wrote:
>
> Hi Amber users,
>
> I want to count hbond with cpptaraj.
>
> What is the correct atom mask for:
>
> 1/ hbond between resid1-resid1
> 2/ hbond between resid1-resid2
> 2/ hbond between resid1-water
>
See page 150 of the AmberTools manual for hbond in cpptraj, and page 273 for
information about the amber mask format.
HTH,
Jason
--
Jason M. Swails
Quantum Theory Project,
University of Florida
Ph.D. Candidate
352-392-4032
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Received on Sat Aug 20 2011 - 11:30:04 PDT
