C 10/30/99 Added other pre-computed vectors and matrices needed C to calculate three - six-order el-loc correlation terms double precision Ug,Ugder,Ug2,Ug2der,obrot,obrot2,obrot_der, & obrot2_der,Ub2,Ub2der,mu,muder,EUg,EUgder,CUg,CUgder,gmu,gUb2, & DUg,DUgder,DtUg2,DtUg2der,Ctobr,Ctobrder,Dtobr2,Dtobr2der, & gtEug common /rotat/ Ug(2,2,maxres),Ugder(2,2,maxres),Ug2(2,2,maxres), & Ug2der(2,2,maxres),obrot(2,maxres),obrot2(2,maxres), & obrot_der(2,maxres),obrot2_der(2,maxres) C This common block contains vectors and matrices dependent on a single C amino-acid residue. common /precomp1/ mu(2,maxres),muder(2,maxres),Ub2(2,maxres), & gmu(2,maxres),gUb2(2,maxres), & Ub2der(2,maxres),Ctobr(2,maxres),Ctobrder(2,maxres), & Dtobr2(2,maxres),Dtobr2der(2,maxres), & EUg(2,2,maxres),EUgder(2,2,maxres),CUg(2,2,maxres), & CUgder(2,2,maxres),DUg(2,2,maxres),Dugder(2,2,maxres), & DtUg2(2,2,maxres),DtUg2der(2,2,maxres),gtEUg(2,2,maxres) C This common block contains vectors and matrices dependent on two C consecutive amino-acid residues. double precision Ug2Db1t,Ug2Db1tder,CUgb2,CUgb2der,EUgC, & EUgCder,EUgD,EUgDder,DtUg2EUg,DtUg2EUgder,Ug2DtEUg,Ug2DtEUgder common /precomp2/ Ug2Db1t(2,maxres),Ug2Db1tder(2,maxres), & CUgb2(2,maxres),CUgb2der(2,maxres),EUgC(2,2,maxres), & EUgCder(2,2,maxres),EUgD(2,2,maxres),EUgDder(2,2,maxres), & DtUg2EUg(2,2,maxres),Ug2DtEUg(2,2,maxres), & Ug2DtEUgder(2,2,2,maxres),DtUg2EUgder(2,2,2,maxres) double precision costab,sintab,costab2,sintab2 common /rotat_old/ costab(maxres),sintab(maxres), & costab2(maxres),sintab2(maxres) C This common block contains dipole-interaction matrices and their C Cartesian derivatives. double precision a_chuj,a_chuj_der common /dipmat/ a_chuj(2,2,maxconts,maxres), & a_chuj_der(2,2,3,5,maxconts,maxres) double precision AEA,AEAderg,AEAderx,AECA,AECAderg,AECAderx, & ADtEA,ADtEAderg,ADtEAderx,AEAb1,AEAb1derg,AEAb1derx, & AEAb2,AEAb2derg,AEAb2derx,g_contij,ekont,EAEA,EAEAderg,EAEAderx, & ADtEA1,AdTEA1derg,ADtEA1derx common /diploc/ AEA(2,2,2),AEAderg(2,2,2),AEAderx(2,2,3,5,2,2), & EAEA(2,2,2), EAEAderg(2,2,2,2), EAEAderx(2,2,3,5,2,2), & AECA(2,2,2),AECAderg(2,2,2),AECAderx(2,2,3,5,2,2), & ADtEA(2,2,2),ADtEAderg(2,2,2,2),ADtEAderx(2,2,3,5,2,2), & ADtEA1(2,2,2),ADtEA1derg(2,2,2,2),ADtEA1derx(2,2,3,5,2,2), & AEAb1(2,2,2),AEAb1derg(2,2,2),AEAb1derx(2,3,5,2,2,2), & AEAb2(2,2,2),AEAb2derg(2,2,2,2),AEAb2derx(2,3,5,2,2,2), & g_contij(3,2),ekont