Hi.
I want to use free energy perturbation method for calculating the free energy of water .
According to the fep method in LAMMPS i should use this pair_style :
pair_style hybrid lj/cut/tip4p/long/soft 2 1 1 1 2.0 0.5 10.0 12.0 8.5 &
lj/cut/tip4p/long 4 3 2 2 0.15 12. 8.5
kspace_style pppm/tip4p 1.0e-5
This gives error because of Kspase_style and using !
Can you please give me some advice for solving this problem ?
Regards,
Lam.