c c c ################################################### c ## COPYRIGHT (C) 1992 by Jay William Ponder ## c ## All Rights Reserved ## c ################################################### c c ######################################################### c ## ## c ## domega.i -- derivative components over torsions ## c ## ## c ######################################################### c c c tesum total energy derivatives over torsions c teb bond stretch derivatives over torsions c tea angle bend derivatives over torsions c teba stretch-bend derivatives over torsions c teub Urey-Bradley derivatives over torsions c teaa angle-angle derivatives over torsions c teopb out-of-plane bend derivatives over torsions c teopd out-of-plane distance derivatives over torsions c teid improper dihedral derivatives over torsions c teit improper torsion derivatives over torsions c tet torsional derivatives over torsions c tept pi-orbital torsion derivatives over torsions c tebt stretch-torsion derivatives over torsions c tett torsion-torsion derivatives over torsions c tev van der Waals derivatives over torsions c tec charge-charge derivatives over torsions c tecd charge-dipole derivatives over torsions c ted dipole-dipole derivatives over torsions c tem atomic multipole derivatives over torsions c tep polarization derivatives over torsions c ter reaction field derivatives over torsions c tes solvation derivatives over torsions c telf metal ligand field derivatives over torsions c teg geometric restraint derivatives over torsions c tex extra energy term derivatives over torsions c c real*8 tesum,teb,tea,teba real*8 teub,teaa,teopb,teopd real*8 teid,teit,tet,tept real*8 tebt,tett,tev,tec real*8 tecd,ted,tem,tep,ter real*8 tes,telf,teg,tex common /domega/ tesum(maxrot),teb(maxrot),tea(maxrot), & teba(maxrot),teub(maxrot),teaa(maxrot), & teopb(maxrot),teopd(maxrot),teid(maxrot), & teit(maxrot),tet(maxrot),tept(maxrot), & tebt(maxrot),tett(maxrot),tev(maxrot), & tec(maxrot),tecd(maxrot),ted(maxrot), & tem(maxrot),tep(maxrot),ter(maxrot), & tes(maxrot),telf(maxrot),teg(maxrot), & tex(maxrot)