[gmx-users] atom radius.
mark.abraham at anu.edu.au
Sat Jul 1 12:56:32 CEST 2006
> Dear users, Is there any way by which i can give a radius to my atoms. Are
> point particles the only option? I am using a user defined potential where
> wish to give the atoms a radius, a definite volume.
This would only make sense if the potential for an atom was dependent on
the volumes of the other atoms. In any case, since no existing molecular
mechanics potential has such a dependence, there is no implementation for
it in Gromacs.
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