AMBER Archive (2008)

Subject: AMBER: RMSD restraint in umbrella sampling

From: nurith_at_rice.edu
Date: Thu Sep 18 2008 - 15:36:24 CDT

Hi,

I am trying to run umbrella sampling on a reaction coordinate described as
the RMSD w.r.t. some reference structure. Is there a way to do it in
AMBER, similar to the CONS module in CHARMM?
>From the little documentation there is, I could only find how to make
distance, angle and dihedral restraints. Can I also do RMSD?

Thanks!
N.
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