1 C 10/30/99 Added other pre-computed vectors and matrices needed
2 C to calculate three - six-order el-loc correlation terms
3 double precision Ug,Ugder,Ug2,Ug2der,obrot,obrot2,obrot_der,
4 & obrot2_der,Ub2,Ub2der,mu,muder,EUg,EUgder,CUg,CUgder,gmu,gUb2,
5 & DUg,DUgder,DtUg2,DtUg2der,Ctobr,Ctobrder,Dtobr2,Dtobr2der,
7 common /rotat/ Ug(2,2,maxres),Ugder(2,2,maxres),Ug2(2,2,maxres),
8 & Ug2der(2,2,maxres),obrot(2,maxres),obrot2(2,maxres),
9 & obrot_der(2,maxres),obrot2_der(2,maxres)
10 C This common block contains vectors and matrices dependent on a single
12 common /precomp1/ mu(2,maxres),muder(2,maxres),Ub2(2,maxres),
13 & gmu(2,maxres),gUb2(2,maxres),
14 & Ub2der(2,maxres),Ctobr(2,maxres),Ctobrder(2,maxres),
15 & Dtobr2(2,maxres),Dtobr2der(2,maxres),
16 & EUg(2,2,maxres),EUgder(2,2,maxres),CUg(2,2,maxres),
17 & CUgder(2,2,maxres),DUg(2,2,maxres),Dugder(2,2,maxres),
18 & DtUg2(2,2,maxres),DtUg2der(2,2,maxres),gtEUg(2,2,maxres)
19 C This common block contains vectors and matrices dependent on two
20 C consecutive amino-acid residues.
21 double precision Ug2Db1t,Ug2Db1tder,CUgb2,CUgb2der,EUgC,
22 & EUgCder,EUgD,EUgDder,DtUg2EUg,DtUg2EUgder,Ug2DtEUg,Ug2DtEUgder
23 common /precomp2/ Ug2Db1t(2,maxres),Ug2Db1tder(2,maxres),
24 & CUgb2(2,maxres),CUgb2der(2,maxres),EUgC(2,2,maxres),
25 & EUgCder(2,2,maxres),EUgD(2,2,maxres),EUgDder(2,2,maxres),
26 & DtUg2EUg(2,2,maxres),Ug2DtEUg(2,2,maxres),
27 & Ug2DtEUgder(2,2,2,maxres),DtUg2EUgder(2,2,2,maxres)
28 double precision costab,sintab,costab2,sintab2
29 common /rotat_old/ costab(maxres),sintab(maxres),
30 & costab2(maxres),sintab2(maxres)
31 C This common block contains dipole-interaction matrices and their
32 C Cartesian derivatives.
33 double precision a_chuj,a_chuj_der
34 common /dipmat/ a_chuj(2,2,maxconts,maxres),
35 & a_chuj_der(2,2,3,5,maxconts,maxres)
36 double precision AEA,AEAderg,AEAderx,AECA,AECAderg,AECAderx,
37 & ADtEA,ADtEAderg,ADtEAderx,AEAb1,AEAb1derg,AEAb1derx,
38 & AEAb2,AEAb2derg,AEAb2derx,g_contij,ekont,EAEA,EAEAderg,EAEAderx,
39 & ADtEA1,AdTEA1derg,ADtEA1derx
40 common /diploc/ AEA(2,2,2),AEAderg(2,2,2),AEAderx(2,2,3,5,2,2),
41 & EAEA(2,2,2), EAEAderg(2,2,2,2), EAEAderx(2,2,3,5,2,2),
42 & AECA(2,2,2),AECAderg(2,2,2),AECAderx(2,2,3,5,2,2),
43 & ADtEA(2,2,2),ADtEAderg(2,2,2,2),ADtEAderx(2,2,3,5,2,2),
44 & ADtEA1(2,2,2),ADtEA1derg(2,2,2,2),ADtEA1derx(2,2,3,5,2,2),
45 & AEAb1(2,2,2),AEAb1derg(2,2,2),AEAb1derx(2,3,5,2,2,2),
46 & AEAb2(2,2,2),AEAb2derg(2,2,2,2),AEAb2derx(2,3,5,2,2,2),