Re: [AMBER] cpptraj - bridging water

From: Lara rajam <lara.4884.gmail.com>
Date: Tue, 27 Oct 2015 11:54:52 -0400

Dear Amber !

The bridge.dat file says about the residues which are bridged
like Res 1 : --- 5 :--- , 1000 frames ( for example )
how to get the 1000 frames or to visually to look in to one of the
structure of the kind using a viewer.
to be more correct I want to get one structure out of that 1000 frame and
want to see the bond visualy

thank you !


On Tue, Oct 27, 2015 at 10:25 AM, Daniel Roe <daniel.r.roe.gmail.com> wrote:

> It's unclear what you mean by "trace the specific structure" - do you mean
> you want to visualize the water and bridged residues? The bridge.dat file
> should contain all the info you need to look at that.
>
> -Dan
>
> On Monday, October 26, 2015, Lara rajam <lara.4884.gmail.com> wrote:
>
> > Dear Amber
> >
> > I would like to trace the water bridging the molecules from Hbond
> Cpptraj.
> >
> > I was able to find the bridge.dat , I would like to trace the specific
> > structure how to do this could any one give me an insight !
> >
> > thank you
> > _______________________________________________
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>
>
> --
> -------------------------
> Daniel R. Roe, PhD
> Department of Medicinal Chemistry
> University of Utah
> 30 South 2000 East, Room 307
> Salt Lake City, UT 84112-5820
> http://home.chpc.utah.edu/~cheatham/
> (801) 587-9652
> (801) 585-6208 (Fax)
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Received on Tue Oct 27 2015 - 09:00:06 PDT
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