X-Git-Url: http://mmka.chem.univ.gda.pl/gitweb/?p=unres.git;a=blobdiff_plain;f=source%2Funres%2Fsrc_CSA_DiL%2FCOMMON.CONTACTS;fp=source%2Funres%2Fsrc_CSA_DiL%2FCOMMON.CONTACTS;h=0000000000000000000000000000000000000000;hp=dfc8da2668e15c549d73d5f2dbaedc44076fe9bb;hb=2a226bfc86eabc6e4eae0c3ad1cbc3cb5417a05a;hpb=a0e685f844163003749ba91dfbf4644bcc8cfa30

diff --git a/source/unres/src_CSA_DiL/COMMON.CONTACTS b/source/unres/src_CSA_DiL/COMMON.CONTACTS
deleted file mode 100644
index dfc8da2..0000000
--- a/source/unres/src_CSA_DiL/COMMON.CONTACTS
+++ /dev/null
@@ -1,75 +0,0 @@
-C Change 12/1/95 - common block CONTACTS1 included.
-      integer ncont,ncont_ref,icont,icont_ref,num_cont,jcont
-      double precision facont,gacont
-      common /contacts/ ncont,ncont_ref,icont(2,maxcont),
-     &                  icont_ref(2,maxcont)
-      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 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
-      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),
-     &  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)
-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),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
-      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
-C 12/13/2008 (again Poland-Jaruzel war anniversary)
-C   RE: Parallelization of 4th and higher order loc-el correlations
-      integer ncont_sent,ncont_recv,iint_sent,iisent_local,
-     &  itask_cont_from,itask_cont_to,ntask_cont_from,ntask_cont_to,
-     &  nat_sent,iat_sent,iturn3_sent,iturn4_sent,iturn3_sent_local,
-     &  iturn4_sent_local
-      common /contdistrib/ ncont_sent(maxres),ncont_recv(maxres),
-     &  iint_sent(4,maxres,maxres),iint_sent_local(4,maxres,maxres),
-     &  iturn3_sent(4,maxres),iturn4_sent(4,maxres),
-     &  iturn3_sent_local(4,maxres),iturn4_sent_local(4,maxres),
-     &  nat_sent,iat_sent(maxres),itask_cont_from(0:max_fg_procs-1),
-     &   itask_cont_to(0:max_fg_procs-1),ntask_cont_from,ntask_cont_to