From: Perdita Barran <perdita.barran_at_ed.ac.uk>
Date: Sat 14 Sep 2002 15:16:45 +0100

I am performing gas phase calculations on small peptides.
I want to make a new residue for an 'in-chain' D isomer of tryptophan. I am
familiar with using the RESP procedure to generate charges for new residues,
but do I need to do that here, or can I just swap the charges? Additionally
should I also create new parameters?
Any help with this will be gratefully received.

Dr. Perdita Barran
Department of Chemistry
The University of Edinburgh
Joseph Black Building
The King's Buildings
West Mains Road
Edinburgh EH9 3JJ

t: +44 (0) 131 651 3039
f: +44 (0) 131 651 3048
e: perdita.barran_at_ed.ac.uk
Received on Sat Sep 14 2002 - 07:16:45 PDT
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