c c c ################################################### c ## COPYRIGHT (C) 1992 by Jay William Ponder ## c ## All Rights Reserved ## c ################################################### c c ############################################################## c ## ## c ## analyz.i -- energy components partitioned over atoms ## c ## ## c ############################################################## c c c aesum total potential energy partitioned over atoms c aeb bond stretch energy partitioned over atoms c aea angle bend energy partitioned over atoms c aeba stretch-bend energy partitioned over atoms c aeub Urey-Bradley energy partitioned over atoms c aeaa angle-angle energy partitioned over atoms c aeopb out-of-plane bend energy partitioned over atoms c aeopd out-of-plane distance energy partitioned over atoms c aeid improper dihedral energy partitioned over atoms c aeit improper torsion energy partitioned over atoms c aet torsional energy partitioned over atoms c aept pi-orbital torsion energy partitioned over atoms c aebt stretch-torsion energy partitioned over atoms c aett torsion-torsion energy partitioned over atoms c aev van der Waals energy partitioned over atoms c aec charge-charge energy partitioned over atoms c aecd charge-dipole energy partitioned over atoms c aed dipole-dipole energy partitioned over atoms c aem multipole energy partitioned over atoms c aep polarization energy partitioned over atoms c aer reaction field energy partitioned over atoms c aes solvation energy partitioned over atoms c aelf metal ligand field energy partitioned over atoms c aeg geometric restraint energy partitioned over atoms c aex extra energy term partitioned over atoms c c real*8 aesum,aeb,aea,aeba real*8 aeub,aeaa,aeopb,aeopd real*8 aeid,aeit,aet,aept real*8 aebt,aett,aev,aec real*8 aecd,aed,aem,aep,aer real*8 aes,aelf,aeg,aex common /analyz/ aesum(maxatm),aeb(maxatm),aea(maxatm), & aeba(maxatm),aeub(maxatm),aeaa(maxatm), & aeopb(maxatm),aeopd(maxatm),aeid(maxatm), & aeit(maxatm),aet(maxatm),aept(maxatm), & aebt(maxatm),aett(maxatm),aev(maxatm), & aec(maxatm),aecd(maxatm),aed(maxatm), & aem(maxatm),aep(maxatm),aer(maxatm), & aes(maxatm),aelf(maxatm),aeg(maxatm), & aex(maxatm)