AMBER Archive (1999)

Subject: Curve decomposition

From: CRAIG ANTHONY MARHEF (CMARHEFKA_at_utmem1.utmem.edu)
Date: Tue Nov 16 1999 - 12:17:13 CST

Dear Amber users,
I am developing some torsional parameters and was wondering what program is
good for decomposing the energy vs torsion curve into the fourier series which
is used by the AMBER FF.

Thanks in advance,

Craig Marhefka
Department of Pharmaceutical Sciences
University of Tennessee Memphis
cmarhefka_at_utmem.edu