FF derivatives
Dear CCLer's-
I am currently trying to write some MM/MC/MD code and would
appreciate it if anybody has a reference for the correct first and second
order derivatives for a simple first generation forcefield such as AMBER
or MM2 so that I can check my derivations.
Thanks,
Charles R. Watts ************************************
Department of Medicinal Chemistry * Leadership is getting *
College of Pharmacy * someone to do what they *
University of Minnesota * don't want to do, *
8-101 HSUF * to achieve what they *
308 Harvard St. SE. * want to achieve. *
Minneapolis, MN 55455 * *
Phone: (612) 624-5486 * -Tom Landry *
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E-Mail: watts004[ AT ]128.101.118.21 ************************************