Hi,
I was wondering, is it possible to use modified potentials in Amber for nonbonded interactions? Specifically, I would like to truncate the LJ potentials at the repulsive core for some protein atoms. Those atoms would interact with the truncated potential amongst themselves, but use the full form of the potential when interacting with other atoms. Is it possible to do this with the tools available in Amber?
Best,
Irem
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Received on Fri Jul 29 2016 - 07:00:05 PDT
