pair_style lj/cut/soft

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1

Dear all,

I want to calculate water free energy by fep method.

https://lammps.sandia.gov/doc/compute_fep.html

In my calculation I do not consider the long range Coulombic interactions , that means i need to use lj/cut/tip4p/cut/soft instead of lj/cut/tip4p/long/soft but LAMMPS does not support it !

Is there anyone who can help me to solve the problem?
I would be appreciated it if anyone can help me.

Best regards,
Saeed.

2

The “soft” additions that have been made to other pair
styles would need to be added to tip4p/cut by someone
(maybe you?).

Steve