AMBER Archive (2003)

Subject: Re: Velocity

From: caldwell_at_heimdal.compchem.ucsf.edu
Date: Mon Feb 17 2003 - 10:10:06 CST

If you want velocities as a function of time (step number) then you have
to enable the -v file, the trajecory file (-x) only contains spatial
information. This is all explained in the manual.

jim

On Mon, 17 Feb 2003, A. Hungie wrote:

> Dear All,
>
> I have done MD simulations of DNA. In my trajectory file, there were only
> coordinates of all atoms and box size, no velocity. Could anyone tell me how
> I can calculate velocity of any atom? I would like to know, for example,
> velocity of atom N9 of residue 4 at the time 200th ps. I don't want to
> re-run the production to store coordinates and velocities.
> Thank you very much in advance.
>
> Hungie
>
>
>
>
>
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