[gmx-users] Adding Virtual Site to the Molecule

Sikandar Mashayak symashayak at gmail.com
Thu Apr 14 22:05:13 CEST 2011


I am thinking of a simulation set up, where I modify a structure/topology of
a molecule under consideration, in which, I want to introduce a dummy
atom/site which will always be located at center of mass of a molecule and
it will only interact with dummy atom of other molecule.

I am not sure how to achieve this, will really appreciate any help in this

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