AMBER Archive (2001)

Subject: Re: torsional profile with MD

From: Bill Ross (ross_at_cgl.ucsf.edu)
Date: Mon Oct 15 2001 - 12:12:21 CDT

        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://www.amber.ucsf.edu/amber/Questions/torsion.html

Bill Ross