namd/charmm steroid parameterization

From: Brian Bennion (
Date: Fri Oct 24 2003 - 11:08:07 CDT


Has anyone done or know someone who has been successfull at parameterizing
steriods in charmm or xplor format?

I have been banging my head on one for a week now, only to find out that
the 1-4scaled exclusions are most likely the cause of my frustration (ie
hydrogen atoms from two separate rings have more than 4 bonds between them
but are only 2.8A away from each other in space).

any ideas?

**Brian Bennion, Ph.D.                                         **
**Computational and Systems Biology Division                   **
**Biology and Biotechnology Research Program                   **
**Lawrence Livermore National Laboratory                       **
**P.O. Box 808, L-448                     **
**7000 East Avenue       phone: (925) 422-5722                 **
**Livermore, CA  94550   fax:   (925) 422-6605                 **

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