[gmx-users] About rotational restraint
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
-------------- next part --------------
An HTML attachment was scrubbed...
More information about the gromacs.org_gmx-users