[gmx-users] Simulate Lennard-Jones System

Zhikun caizkun at gmail.com
Fri Jan 31 06:36:31 CET 2014

Dear users,

I would like to simulate a Lennard-Jones system with one or two species of
atoms. But my knowledge is only about Lennard-Jones 6-12 potential and I
haven't figured out how to use that potential to set up the system with
GROMACS. Could anybody help me with this? Any recommended reading material
is welcome.


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