[gmx-users] fixed dihedrals

Yuguang Mu ygmu at theochem.uni-frankfurt.de
Thu Mar 6 15:35:42 CET 2003


>
> Dear all,
>
> is it possible to fix single dihedral angles
> during a MD run. If yes, what's the easiest
> way of implementation?
>
> Thanks for your help,
> Gitta
>

Just define a GROMOS dihedral angle type in your molecular topology file
with a very high potential energy.
I think it works




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