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[lammps-users] A question about Pair_style
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[lammps-users] A question about Pair_style

From: Lamm Gro <lammgro@...24...>
Date: Wed, 26 Jul 2017 18:30:08 +0900

Dear Lammps users , 

I try to calculate free energy by FEP method for Water with TIP4P model .
As you know we should use soft potential for defining the interaction between solvent-solute .
When we want to calculate FEP for water we can have one molecule as solute and others as solvent ! 

Now I was wondering how I can define the O-type and H type in lj/cut/tip4p/long/soft pair-style ? 
Because in this special system we have two different type of oxygen and also two different type of hydrogen ! 

Thanks for your attention,