tip4p problem

Hi LAMMPS users,

I am using ionic liquid + water ( tip4p/ice).

I’m unable to run the minimization and MD runs with mixed systems.

After few runs the pressure is increased vastly . I am attaching the data, para and input files…

pair_style hybrid lj/cut/coul/long 12 lj/cut/coul/long 12 13 15 24 0.1577 12

while minimization, bond_coeff and angle_coeff of water are made some huge numbers, for MD runs, they are 0.0.

thanks in advance.

karthik kumar

parm.bmim_bf4 (9.3 KB)

data.bmim_bf4 (2.4 MB)

in.bmim_bf4 (665 Bytes)