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
>
>
>
-----------------------------------------------------------------------
The AMBER Mail Reflector
To post, send mail to amber.scripps.edu
To unsubscribe, send "unsubscribe amber" (in the *body* of the email)
to majordomo.scripps.edu
Received on Fri Sep 19 2008 - 03:07:13 PDT
