Dear LAMMPS users,
I want to use pair_style lj/cut/tip4p/cut/soft for calculating water molecule free energy by fep method!
Since LAMMPS does not support this pair_style so i decided to modify the lj/cut/tip4p/cut/
but the problem is i get so many errors and I could not figure it out!
I have attached it with this email.
Is there anyone who can help me to solve the problem?
pair_lj_cut_tip4p_cut_soft.cpp (23.8 KB)