Re: torsional profile with MD

From: Bill Ross <ross_at_cgl.ucsf.edu>
Date: Mon 15 Oct 2001 10:12:21 -0700 (PDT)

        is there a script for simulating a rotational profile using
        MD with PBC in water? I would like to obtain a free energy
        profile as a function of a torsional angle.
        
See

  http://amber.ch.ic.ac.uk/Questions/torsion.html

Bill Ross
Received on Mon Oct 15 2001 - 10:12:21 PDT