Running IMD with TMD (domain restraints)

From: Steven Cohen (
Date: Mon Jan 02 2017 - 10:43:09 CST

Hi all,

I was wondering if it is possible to run IMD with domain restraints, as are
used in TMD simulations. I have a protein which moves according to a hinge
mechanism, but my TMD simulations tend to get stuck in a relative minimum
that we know is not physiologically possible. In short, I want to use IMD
to drag a domain as a whole into my EM map. Is this possible?


Steven Cohen
Graduate Student, Drennan Lab
Department of Chemistry
Massachusetts Institute of Technology

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