[gmx-users] regarding Lorentz-Berthelot mixing rules

deepak bapat dubapat at gmail.com
Thu Apr 14 13:04:57 CEST 2016


Dear gmx-users,

Is it possible to use customized Lorentz-Berthelot rules? In one of the
research articles i found that LB factors were modified by multiplying by a
constant value.

How can i incorporate such changes in my mdp file?



-- 
Deepak


More information about the gromacs.org_gmx-users mailing list