[gmx-users] how to create a dummy atom in the oplsaa force field?

nanyu101 at sina.com nanyu101 at sina.com
Thu Oct 27 14:59:12 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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