Dear all,
I was asked to use OPLS-AA in AMBER. In OPLS, the variable sigma in the non-bond interaction is calculated by geometric mean. But the default in AMBER is arithmetic mean. Is there any option to change the setting to geometric man?
Sincerely,
Xiaoquan Sun.
2013-08-20
X Sun
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Received on Tue Aug 20 2013 - 12:00:05 PDT
