- common /contacts1/ facont(maxconts,maxres),
- & gacont(3,maxconts,maxres),
- & num_cont(maxres),jcont(maxconts,maxres)
-C 12/26/95 - H-bonding contacts
- common /contacts_hb/
- & gacontp_hb1(3,maxconts,maxres),gacontp_hb2(3,maxconts,maxres),
- & gacontp_hb3(3,maxconts,maxres),
- & gacontm_hb1(3,maxconts,maxres),gacontm_hb2(3,maxconts,maxres),
- & gacontm_hb3(3,maxconts,maxres),
- & gacont_hbr(3,maxconts,maxres),
- & grij_hb_cont(3,maxconts,maxres),
- & facont_hb(maxconts,maxres),ees0p(maxconts,maxres),
- & ees0m(maxconts,maxres),d_cont(maxconts,maxres),
- & num_cont_hb(maxres),jcont_hb(maxconts,maxres)
-C 9/23/99 Added improper rotation matrices and matrices of dipole-dipole
-C interactions
-C Interactions of pseudo-dipoles generated by loc-el interactions.
- double precision dip,dipderg,dipderx
- common /dipint/ dip(4,maxconts,maxres),dipderg(4,maxconts,maxres),
- & dipderx(3,5,4,maxconts,maxres)
-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/ Ub2(2,maxres),Ub2der(2,maxres),mu(2,maxres),
- & gmu(2,maxres),gUb2(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),Ctobr(2,maxres),
- & Ctobrder(2,maxres),Dtobr2(2,maxres),Dtobr2der(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
- 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),DtUg2EUgder(2,2,2,maxres),
- & Ug2DtEUg(2,2,maxres),Ug2DtEUgder(2,2,2,maxres)
- double precision costab,sintab,costab2,sintab2
- common /rotat_old/ costab(maxres),sintab(maxres),
- & costab2(maxres),sintab2(maxres),muder(2,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
- 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