The Force Field Equation - various typesettings. ---------------------------- ASCII ----------------------------------- ___ 2 ___ 2 V = \ ( K (r-r ) ) + \ (K (theta - theta ) ) + /__ r 0 /__ theta 0 bonds angles ___ (1/2) \ ( V [1+cos(n phi - gamma)]) + /__ n dihedrals ___ [ A C q1 q2 ] \ [ --- - --- + ----- ] /__ [ r^12 r^6 D r ] nonbonded pairs Thanks to an unknown contributor to a newsgroup for this ASCII version. This is the basic additive form as in the Cornell et al. 1995 force field, i.e. omitting polarization as well as the hydrogen bonding 10-12 term from the Weiner et al. 1984,1986 force field. ---------------------------- LaTeX ----------------------------------- Here is a LaTeX version of the equation that still has the 10-12 term in it (last 3 lines above the "\label" line) and no polarization terms: \def\eqnff{E_{\rm total} = \sum_{\rm bonds} K_r (r - r_{eq})^2 + \sum_{\rm angles} K_\theta (\theta - \theta_{eq})^2 + \sum_{\rm dihedrals} {V_n \over 2} [1 + {\rm cos}(n\phi - \gamma)] \nonumber\\ + \sum_{i