[gmx-users] CU2+ nonbonded parameteres (sigma and epsilon)

Mohsen Asadbegi mohsenasad.7091 at gmail.com
Fri Mar 15 19:50:49 CET 2019


I need to add non-bonded CU2+ ion to CHRAMM36. How can I find these
parameters (sigma and epsilon)? Does it enough to define CU2+ by its
charge, mass, sigma and epsilon?
In addition, I want to know that what are the units of sigma and epsilon in
the CHARMM36 force field?

Mohsen Asadbegi.

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