Hi!
After some difficult startings with the MODELLER package i feel
now really
enthusiastic about the possibilities of the program. Anyway i have
a question:
did one of you parametrized the copper atom? i.e do you know the radii
values we have
to enter in the radixx.lib files and the nonbonded constants of the
parm.lib file? (what is the
meening of these last values?)
Maybe as a first (good?) approximation i could use the values of the
ZN atom
which is parametrized. Anyone has an idea?
Regards,
--
Michel GIORGI
Lab. de Cristallochimie
Faculte de St. Jerome
Marseille, cedex 20, FRANCE