c c c ################################################### c ## COPYRIGHT (C) 1992 by Jay William Ponder ## c ## All Rights Reserved ## c ################################################### c c ############################################################### c ## ## c ## shunt.i -- polynomial switching function coefficients ## c ## ## c ############################################################### c c c off distance at which the potential energy goes to zero c off2 square of distance at which the potential goes to zero c cut distance at which switching of the potential begins c cut2 square of distance at which the switching begins c c0 zeroth order coefficient of multiplicative switch c c1 first order coefficient of multiplicative switch c c2 second order coefficient of multiplicative switch c c3 third order coefficient of multiplicative switch c c4 fourth order coefficient of multiplicative switch c c5 fifth order coefficient of multiplicative switch c f0 zeroth order coefficient of additive switch function c f1 first order coefficient of additive switch function c f2 second order coefficient of additive switch function c f3 third order coefficient of additive switch function c f4 fourth order coefficient of additive switch function c f5 fifth order coefficient of additive switch function c f6 sixth order coefficient of additive switch function c f7 seventh order coefficient of additive switch function c c real*8 off,off2,cut,cut2 real*8 c0,c1,c2,c3,c4,c5 real*8 f0,f1,f2,f3,f4,f5,f6,f7 common /shunt/ off,off2,cut,cut2,c0,c1,c2,c3,c4,c5, & f0,f1,f2,f3,f4,f5,f6,f7