[gmx-users] partial charges and radius setting

Rajiv Gandhi grajiv03 at gmail.com
Fri Nov 16 09:12:09 CET 2012

Dear Gmx users,

I want to know how to set the particular value of effective partial
charges CO ligand in topology file ?

For non bonded interaction(12-6 Lennard-Jones potential function) how do i
set a radius and well depth parameter for CO ?



More information about the gromacs.org_gmx-users mailing list