Re: [AMBER] Trajectory Minimization

From: John S <s.john634.gmail.com>
Date: Tue, 26 Oct 2010 10:43:53 -0400

Yes it is to convert from 0.25 ps per frame to 1 ps per frame .


Thanks
John

On Tue, Oct 26, 2010 at 10:26 AM, Thomas Cheatham <tec3.utah.edu> wrote:

>
> > I have a 0.25 ps per frame trajectory .I want to convert it into a 0.1
> ps
> > per frame trajectory, is there any way of doing it .
>
> Definately not; but you could go from 0.25 ps -> 1.0 ps...
>
> > I used to ptraj to dump out every fourth frame ; still it is a 0.25 ps
> per
> > frame trajectory .
>
> trajout traj.mdcrd 4 999999 4
>
> Note that no "time" information is stored in the trajectory file so
> interpreting the spacing between frames is up to you...
>
> --tec3
>
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Received on Tue Oct 26 2010 - 08:00:03 PDT
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