[gmx-users] OPLS, RB dihedrals and LJ-14 interactions
Lars.Schaefer at mpi-bpc.mpg.de
Mon Jun 28 19:10:07 CEST 2004
this issue was discussed here already. Check out
For OPLS, you generally do N O T exclude LJ14 interactoins.
Bamidele Adisa wrote:
> i'm running md simulations using OPLS forcefield.
> the gromacs manual says that when Ryckaert-Bellemans dihedrals are used,
> the LJ-14 interactions should be excluded.
> does this apply only to GROMACS and GROMOS forcefields or it also
> applies to OPLS?
> thanks in advance.
> Bamidele Adisa
> Dept of Chemical Engineering
> Clemson University
> Clemson, SC 29634-0909
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