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[lammps-users] Question on: How to simulate a system that contains two different scales of force field by using lammps
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[lammps-users] Question on: How to simulate a system that contains two different scales of force field by using lammps


From: "sunny" <254958987@...1204...>
Date: Mon, 7 Aug 2017 14:25:12 +0800



Dear All,
Thank you very much for your reply to the previous message. Now I have a new question. I want to simulate molecular diffusion properties in zeolites with lammps. In a reference, zeolites were used Hill-Sauer FF, which is a full atomic force field, but the absorbates (methane) was modeled as a spherical united atom with zero net charge. Only CH4-CH4 and CH4-framework interactions are defined using LJ potentials. I don't know how to write the .in file that contains two different scales of force field. Could you give me a simple example? Thank you very much.
The  potential parameters  are below.


        
I definitely need help on this from lammps users.
Guang Yang
Sinopec,China