[gmx-users] how to create a dummy atom in the oplsaa force field?
nanyu101 at sina.com
nanyu101 at sina.com
Thu Oct 27 14:25:51 CEST 2005
Dear gmx-users,
I am trying to find a right way to simulate my zinc enzyme. There are several methods found in the references and mailing lists, such as cationic dummy atom approach. But how to create a dummy atom in the parameter files? The munaul is very compact, I can\'t understand it clearly. Thanks a lot.
all your bests,
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