[gmx-users] About rotational restraint

Lee Soin nomadoro at gmail.com
Fri Nov 13 13:57:26 CET 2009


I'm applying COM pull on a two-domain protein by fixing the distance between
the centers of mass of each domain with an umbrella potential. However, I
find that the domains can rotate so that the inner surfaces of each domain
are not parallel any more. How can I apply a rotational restraint so that
each domain doesn't rotate during simulation? Thanks in advance.

Department of Physics
Nanjing University, China
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