Re: [AMBER] Trajectory Minimization

From: Thomas Cheatham <tec3.utah.edu>
Date: Tue, 26 Oct 2010 08:26:00 -0600 (Mountain Daylight Time)

> I have a 0.25 ps per frame trajectory .I want to convert it into a 0.1 ps
> per frame trajectory, is there any way of doing it .

Definately not; but you could go from 0.25 ps -> 1.0 ps...

> I used to ptraj to dump out every fourth frame ; still it is a 0.25 ps per
> frame trajectory .

trajout traj.mdcrd 4 999999 4

Note that no "time" information is stored in the trajectory file so
interpreting the spacing between frames is up to you...

--tec3

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Received on Tue Oct 26 2010 - 07:30:05 PDT
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