Dear Amber users,
I'm interested in free energy calculations on ligand-protein
complexes and recently i'm
working with some N-iso-propoxy-solfonamide group. In my ligand the
sulfur atom is also
bound to a phenil ring, whereas the nitrogen atom is also bound to a
sp3 carbon atom. I'm
going to run a minimization with Amber 9.0 but i want to introduce the
right parameters
for BOND and ANGLE. In Amber mailing list i saw that also other people
had the same
problems so i'm wondering if someone could help me.
Thank you in advance
Valeria
Valeria La Pietra
Department of Pharmaceutical and Toxicological Chemistry
University of Naples "Federico II"
via D. Montesano 49
80131 Naples, Italy
Tel:081678619
email: valeria.lapietra.unina.it
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Received on Wed May 20 2009 - 11:23:01 PDT
