Re: forces on fixed atoms

From: Jérôme Hénin (jhenin_at_ifr88.cnrs-mrs.fr)
Date: Wed Feb 16 2011 - 17:58:28 CST

Hi Brian,
Try the fixedAtomsForces keyword.
Jerome

On 16 February 2011 23:01, Bennion, Brian <Bennion1_at_llnl.gov> wrote:
> Hello,
>
> I have a system where I would like to know the forces acting on a set of fixed atoms by the free atoms in the system.  Initially I thought that a simple tclforces script would give me that information, however when loadtotalforces is used it appears to be zero'ed out already.
>
> Any thoughts?
>
> Thanks
> Brian Bennion
>
>
> Biosciences and Biotechnology Division
> Lawrence Livermore National Laboratory
> 7000 East Ave Livermore California 94550
> phone:925-422-5722
> fax:925-424-4334
>
>
>
>

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