Re: How to access velocity coordinates from within TclForces script

From: Giacomo Fiorin (gfiorin_at_seas.upenn.edu)
Date: Thu Sep 17 2009 - 16:37:03 CDT

Hi Patrick, unfortunately, no, velocities are not accessible.

You may try to keep the coordinates of each atom also at the previous
time step, and subtract them from the current ones from inside
tclForces. It's kind of a dirty trick, but in some cases it may be
enough.

Giacomo

---- ----
 Giacomo Fiorin
   ICMS - Institute for Computational Molecular Science
     Temple University
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On Thu, Sep 17, 2009 at 3:43 PM, Patrick Hogan <phogan_at_uci.edu> wrote:
> Hello,
>
> Within a TclForces script, in the proc calcforces() routine I am trying to
> access velocity coordinate information. I am aware that retrieving
> configuration space coordinates is possible by way of the loadcoords
> keyword. Is there a way to access the velocity coordinates in such a
> manner? Any help is greatly appreciated. Thanks,
>
> Patrick
>
>

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