I have problem about using fep method for water TIP4P model .
I actually want to use fep method but the problem is I am not sure about the pair_style that i use :
I use :
pair_style hybrid/overlay lj/cut/tip4p/long 2 1 1 1 0.1546 12.0 8.5 &
lj/cut/tip4p/long/soft 4 3 2 2 0.1546 2.0 0.5 10.0 12.0 8.5
kspace_style pppm/tip4p 1.0e-4
Is there anyone who has experience about this?
I would be appreciated it if anyone can help me.
Best