Re: lipid bilayer MD simulations

From: Bill Ross <>
Date: Tue 6 Mar 2001 11:06:44 -0800 (PST)

        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
Received on Tue Mar 06 2001 - 11:06:44 PST
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