[Fwd: Re[2]: [gmx-users] dummy particles]

Arturas a3arzi at vaidila.vdu.lt
Fri Nov 12 10:57:23 CET 2004

My sulfur is tetrahedral, therefore, I will check TIP5P.

How these dummies will act in MD simulations: will they be in steady
configuration with sulfur ?


DvdS> Check the topology for TIP5P, if they are out of the plane, if they are
DvdS> all in one plane you define the S position to be the dummy and use
DvdS> impropers to keep the other four atoms in the plane.

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