Subject: CCL:MM3 parameters

From: Thomas Nowak <[email-masked]>
Date: Tue, 11 Aug 1998 07:05:08 +0200 (METDST)

dear all,

i'm looking for suitable parameters for the mm3 force field 
to model organophosphourus(iii) ligands, expecially phosphites
(f.i. trimethyl -> P(OMe)3, triphenyl -> P(OPh)3), but
also phosphines (f.i. trimethyl -> PMe3; triphenyl -> PPh3).
Although the latter should be included in the standard
parametrization, no suitable set of parameters describing the phosphites
are found. I my resarch the TINKER package was used.

Is there anybody out there who can give me some pointers to the needed
parameters or even better, who has made her/his own set of parameters
by hand.

best regards

Thomas