C Change 12/1/95 - common block CONTACTS1 included.
- integer ncont,ncont_ref,icont,icont_ref,num_cont,jcont
- double precision facont,gacont
+ integer ncont,ncont_ref,icont,icont_ref,num_cont,jcont,
+ & num_cont_hb,jcont_hb
+ double precision facont,gacont,g_contij,ekont,
+ & gacontp_hb1,gacontp_hb2,gacontp_hb3,gacontm_hb1,gacontm_hb2,
+ & gacontm_hb3,gacont_hbr,grij_hb_cont,facont_hb,ees0p,
+ & ees0m,d_cont
common /contacts/ ncont,ncont_ref,icont(2,maxcont),
& icont_ref(2,maxcont)
common /contacts1/ facont(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,
- & DUg,DUgder,DtUg2,DtUg2der,Ctobr,Ctobrder,Dtobr2,Dtobr2der
+ & 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)
+ & 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
+ & 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),
& 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
+ & AEAb2,AEAb2derg,AEAb2derx,ADtEA1,ADtEA1derg,ADtEA1derx,
+ & EAEA, EAEAderg, EAEAderx
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),