Dear AMBER,
After reading the papers about the positive extra-point approach in the
AMBER general force field (GAFF) (*Ibrahim, J. Phys. Chem. B, 2012, 116,
3659-3669*) and the polarizable ellipsoidal approach (*Liu et. al, JCC,
2013, 34, 2032-2040*), we would like to try these force fields in our free
energy calculation cases, if possible. However, we didn't find these force
fields in the current AMBER 14 settings. Could anyone enlighten? Thanks!
Best,
Henry
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Received on Tue Sep 22 2015 - 16:00:04 PDT
