[gmx-users] graphite and pi density

Nilesh Dhumal ndhumal at andrew.cmu.edu
Thu May 20 18:04:39 CEST 2010


I want to put charge (as pi density) on each carbon atom at 1 A top and
below of each carbon atom of graphaite sheet. Basically I want put a atom,
X, with charge -0.5 and mass 0 at 0.5 A  below and above the carbon atom.

How can I do this?



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