(no subject)

chandan_das · June 11, 2011, 5:16pm

Hi

Think i have two types of atom suppose ‘1’ and ‘2’, now i am using pair_style lj/cut, i want to calculate the potential due all pair’1-1’. Can anyone help me how i can calculate this.

pair_coeff 1 1 1.0 1.0 2.50
pair_coef 2 2 1.0 1.0 2.50
pair_coeff 1*3 3 1.0 1.0 2.50

Thanks

Chadnan

akohlmey · June 11, 2011, 5:23pm

Hi

Think i have two types of atom suppose '1' and '2', now i am using
pair_style lj/cut, i want to calculate the potential due all pair'1-1'. Can
anyone help me how i can calculate this.

you can use compute group/group

axel.