Date: Tue, 30 Apr 2002 11:21:38 -0700
From: David Case
Subject: Re: heterochirical peptides ?

On Tue, Apr 30, 2002, Yuguang Mu wrote:

> Will I have problems when use standard AMBER force fields to
> simulate heterochirical peptide, such as ALA- (D)ALA -PHE -???

No...both D and L forms are local minima in the potentials, with fairly
large barriers to inversion. So if you start with a D amino acid, you
should stay there.

It is possible to see chirality inversions at high temperatures, so you
should be on the lookout for that, however.

...good luck...dac