Re: [AMBER] Trajectory Minimization

From: Thomas Cheatham <tec3.utah.edu>
Date: Tue, 26 Oct 2010 10:33:49 -0600 (Mountain Daylight Time)

> Can I know if I specify
>
> trajout traj.mdcrd 1 999999 4
>
> will that make any difference.

Try it and see! Note that as written you will be doing the first frame,
so the times would be 0.25, 1.25, 2.25, ... If you want 1.0, 2.0, ...

trajout traj.mdcrd 4 9999999 4

--tec3

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Received on Tue Oct 26 2010 - 10:00:02 PDT
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