[gmx-users] LJ question
Anthony Cruz
acb15885 at uprm.edu
Thu Aug 28 18:33:26 CEST 2008
Dear Users:
I am planing to do some simulations of a protein in acetonitrile using the
model of P.J. Gee (Mol. Phys. (2006) 104, 477-483). The use of this model
will introduce new atom types and new LJ parameters for those atoms. When I
define those atoms in the acetonitrile topology I need to define the mixing
of LJ for all the atoms or gromacs will do it?
Cheers,
Anthony
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