[AMBER] generating solvated Fe2+

From: Thomas Pochapsky <pochapsk.brandeis.edu>
Date: Thu, 22 Mar 2018 15:48:53 -0400

I am trying to modify a metal cluster to have two discrete waters
solvating a ferrous ion in Xleap.  What .lib and frcmods should be in
leaprc to get the parameters I need?

Thanks,
Tom Pochapsky



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Received on Thu Mar 22 2018 - 13:00:02 PDT