Problem with center of mass movement in simulation

Date: Mon Feb 06 2006 - 12:01:21 CST


I am hoping someone can help me, because I think this is just a
configuration error.

I am running a simulation using GRO-alpha sitting above a POPE lipid
bilayer. The system is solvated and I am using periodic boundary
conditions. When I run this simulation, I find that the center of mass
of the GRO-A molecule doesn't move at at, nor does it change
orientations. Am I somehow constraining its position? Can you do that
in a .conf file?

I have the setup files I can send to anyone who can help.

Thank you.
Robert Wiese

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