AMBER Archive (2008)

Subject: Re: AMBER: Question

From: Carlos Simmerling (carlos.simmerling_at_gmail.com)
Date: Wed Sep 17 2008 - 06:18:19 CDT

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_at_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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