AMBER Archive (2005)

Subject: AMBER: can I setup a simulation with restrain the COM of a group to a reference structure?

From: bzlu_at_ucsd.edu
Date: Sun Aug 28 2005 - 15:32:33 CDT

Dear all,
Can someone give me suggestion about setup s MD simulation with:
a restrain on the center of mass of a group to
an assigned distance away from a reference structure?

It is like the target MD, but not restarin the RMSD.
And the internal restrain seems also not proper for this case,
since the restrain in my goal is relative a reference structure.

Thanks for any helpful information.

Benzhuo Lu.

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