three-site carbon monoxide model

From: ELENA JEAN LEVIN (ejlevin_at_wisc.edu)
Date: Thu May 27 2004 - 16:40:11 CDT

Hi,

I would like to run a simulation using a three-site model for carbon
monoxide, with point charges on the C and O atoms and a third
point charge located at the center of mass. Is it possible to do this
in NAMD? If I used a dummy atom, how would I constrain it to the
center of mass of the CO molecule?

Thanks,

Elena Levin

Department of Biochemistry
University of Wisconsin Madison

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