[gmx-users] Re: scaling non-bonded interactions

Vitaly Chaban vvchaban at gmail.com
Wed Jun 1 21:18:57 CEST 2011


>
> Is it possible to globally scale all non-bonded interactions by a factor ?  I know there are energy exclusion groups, but that is an all or nothing approach, while I would like to reduce non-bonded interaction potentials to e.g. 10% of their normal value.
>
> If this is not possible, I suggest to have this as an option in the mdp-file.


I don't see much sense in such uniform scaling.


-- 
Dr. Vitaly V. Chaban, Department of Chemistry
University of Rochester, Rochester, New York 14627-0216



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