update

[unres.git] / source / cluster / wham / src-M / include_unres / COMMON.CONTACTS

diff --git a/source/cluster/wham/src-M/include_unres/COMMON.CONTACTS b/source/cluster/wham/src-M/include_unres/COMMON.CONTACTS
index d07a0f0..ecfc97d 100644 (file)
--- a/source/cluster/wham/src-M/include_unres/COMMON.CONTACTS
+++ b/source/cluster/wham/src-M/include_unres/COMMON.CONTACTS
@@ -1,6 +1,10 @@
 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),
@@ -26,22 +30,26 @@ C Interactions of pseudo-dipoles generated by loc-el interactions.
 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),
@@ -57,7 +65,8 @@ C Cartesian derivatives.
      &  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),