hi everybody
i want to simulate cnt and water through but i get this error
Incorrect args for pair coefficientspair_style coul/long 10
#pair_style lj/charmm/coul/charmm 10 12
pair_coeff 1 2 0.105 3.1905
pair_coeff 1 3 0.000 0.000
pair_coeff 1 1 0.0700 3.5500 #ca
pair_coeff 2 2 0.1521 3.5365 #OW
pair_coeff 3 3 0.0000 0.0000 #HW
pair_coeff 2 3 0.0000 0.000
(interaction between H and all other atoms are zero)
1 C
#2 O
#3 H
can anybody help me?
Any help would be appreciated
tnx