> From: m.o.m.live.fr
> To: amber.ambermd.org
> Date: Sat, 20 Aug 2011 17:50:12 +0000
> Subject: Re: [AMBER] hbond atom mask in cpptraj
>
> >
> >
> > Hi Amber users,
> >
> > I want to count hbond with cpptaraj.
> > 1/ hbond between resid1-resid1
i do this by "donnor :1" (= or "acceptor :1")
> > 2/ hbond between resid1-resid2
if i do" donnor :1,:2" or "acceptor :1,:2" in the result i found: (hbond resid1-resid1)+ (hbond resid2-resid2)+ (hbond resid1-resid2)
How to exclude the inter-hbond (hbond resid1-resid1)+ (hbond resid2-resid2)
I want to count just the intermolucular hbond between residu
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Received on Sat Aug 20 2011 - 16:30:04 PDT
