FRCMOD file providing missing force field parameters used by the Demo service... MASS mass pol Source BOND K(kcal.mol-1.ang-2) Dist0(ang) Source O -S 570.0 1.53 Fox & Kollman J.Phys.Chem.B 1998, 102, 8070-8079 ANGLE K(kcal.mol-1.ang-2) Theta0(deg) Source CL-CT-CL 80.0 111.30 Adapted from Fox & Kollman CL-CT-H3 40.0 107.70 Adapted from Fox & Kollman CT-S -O 80.0 106.75 Fox & Kollman CY-CT-HC 50.0 109.50 from parm99.dat i.e. CT-CT-HC DIHEDRAL Path V(kcal.mol-1.rad-1) Phase(deg.) Period Source H1-CT-S -CT 1 0.047 0 3 Adapted from Fox & Kollman X-S-CT-X 0.85/6; is it correct? H1-CT-S -O 1 0.047 0 3 Adapted from Fox & Kollman X-S-CT-X 0.85/6; is it correct? IMPROPER V(kcal.mol-1.rad-1) Phase(deg.) Period Source NONBON R*(ang) Eps(kcal.mol-1) Source