Re: AMBER: 22 improper torsions in old prep form

From: Bill Ross <>
Date: Fri, 5 Jan 2007 10:39:23 -0800 (PST)

> now i am not getting the warning, But it is showing
> the improper torson.

These are shown when you load residues as prep files. It is
because the improper torsions in the prep file are not used
is assigning impropers, so this gives a chance to compare prep
to leap. Leap assigns impropers by checking each possible improper
against the force field to see if there is a term for that set of
atom types.

> total 128 improper torsions applied
> 22 improper torsions in old prep form

This is probably comparing impropers for the whole molecule to the
impropers for the one residue you loaded as a prep file.

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Received on Sun Jan 07 2007 - 06:07:44 PST
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