AMBER Archive (2001)

Subject: Re: lipid bilayer MD simulations

From: Bill Ross (ross_at_cgl.ucsf.edu)
Date: Tue Mar 06 2001 - 13:06:44 CST

        united-atom force-fields are quite common

If you use united-atom be careful with improper torsions, because
I was unable to get leap's method of applying them to work with
the canonical united-atom ff. This is because the old prep way
allowed you to specify the order of the three atoms; with leap
the order is arbitrary (based on atom name or type, I forget which),
and this doesn't work when the improper is not planar.

Bill Ross