Specifying Values for Rotating Constraints

From: Megan Scoppa (megan_scoppa_at_yahoo.com)
Date: Tue Aug 03 2010 - 11:09:54 CDT

Hi,
I have a molecule with which I would like to rotate some of the residues while harmonically constraining other residues. With the harmonic constraints I specify a force file and a column in the .pdb file for the force value. There is not an option like this for the rotating constraints. Where does NAMD read the force values for rotating constraints? If it is the initial coordinate file specified, should the column specified for harmonic constraints also be used for rotation?
My Best,
Megan Scoppa
megan_scoppa_at_yahoo.com
Undergraduate Researcher
University of Houston
Houston, TX

      

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