Cremer - Pople parameters

Dmitri V Mikhailov mikha001 at MAROON.TC.UMN.EDU
Wed Jan 22 12:54:13 EST 1997


Dear Netters,
I need to calculate Cremer - Pople ring puckering parameters
(Cremer and Pople, J.Amer.Chem.Soc. 97, 1354-1358 (1975))
for trajectories generated with Biosym/MSI software.
Can someone point me to any available C or Fortran routines
which do this sort of calculation.
Regards,

Dmitri Mikhailov
Ph.D. student
*****************************************************
Univ. of Minnesota Medical School
Department of Biochemistry
Box 609, 420 Delaware St. SE
Minneapolis MN 55455

tel. (612) 624-7107
fax. (612) 626-2325
e-mail: mikha001 at maroon.tc.umn.edu
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