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
--
==================================================================
David A. Case | e-mail: case_at_scripps.edu
Dept. of Molecular Biology, TPC15 | fax: +1-858-784-8896
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Received on Tue Apr 30 2002 - 11:21:38 PDT
