AMBER Archive (2009)

Subject: Re: [AMBER] Set start timestep for mdcrd traj output

From: Carlos Simmerling (carlos.simmerling_at_gmail.com)
Date: Tue Apr 21 2009 - 18:26:02 CDT


trajectory frames don't have time step information.
ptraj can check the # of frames.

On Tue, Apr 21, 2009 at 12:38 PM, quantum_mania_at_yahoo.com
<quantum_mania_at_yahoo.com> wrote:
>
>
> Hi,
>
> Is it possible to set a start timestep (instead of at the very beginning of MD run) to output the coordinates in mdcrd file?
>
> Also,  what's the best way to check the number of frames in a mdcrd traj?
>
> How to make sander to write binpos format traj file?
>
> Thanks!
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