[gmx-users] turn-off Lennard-Jone interaction for a particular pair.
Park, Jae Hyun nmn
parkj at ornl.gov
Mon Sep 19 17:33:43 CEST 2011
I would like to turn off only the Lennerd-Jones interaction for a particular pair of atoms, while maintaining the electrostatic interaction.
For example, the system consist of A, B, and C atoms. All of them have charge. I would like to turn off the Lennard-Jones self-interaction for A atoms (A-A LJ interaction).
Do you have any idea to implement this?
Jae H. Park
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