CCL:MM3 parameters
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