Re: AMBER: Question

From: Carlos Simmerling <carlos.simmerling.gmail.com>
Date: Wed, 17 Sep 2008 07:18:19 -0400

train filename 3000 3000
trajout newfile

check the ptraj manual for trajout syntax for pdb, restart, etc format
selection


On Wed, Sep 17, 2008 at 7:14 AM, Beale, John <jbeale.stlcop.edu> wrote:

> I have a simple question. How do I extract a single arbitrary frame from
> a dynamics run? Let's say that I want to extract frame 3000 out of a 4000
> frame simulation. How would I set up ptraj to do that?
>
>
>
> John
>
>
>

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Received on Fri Sep 19 2008 - 03:07:13 PDT
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