[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?



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