X-Git-Url: http://mmka.chem.univ.gda.pl/gitweb/?a=blobdiff_plain;f=source%2Fwham%2Fsrc-HCD-5D%2Fread_constr_homology.F;h=7884fd5a52f3766d96da2a12662c6092da2a3e46;hb=80ab2d41741e671bb6a45dfb03bde07457a29daf;hp=168211ea9ba0daa5d100085c7ea9d7d2619ef8db;hpb=820f293760806cf45f8368b0e23dfcdc3e7b992e;p=unres.git

diff --git a/source/wham/src-HCD-5D/read_constr_homology.F b/source/wham/src-HCD-5D/read_constr_homology.F
index 168211e..7884fd5 100644
--- a/source/wham/src-HCD-5D/read_constr_homology.F
+++ b/source/wham/src-HCD-5D/read_constr_homology.F
@@ -184,13 +184,14 @@ c         write(iout,*) "tpl_k_rescore - ",tpl_k_rescore
           do irec=nnt,nct ! loop for reading res sim 
             if (read2sigma) then
              read (ientin,*,end=1401) i_tmp,rescore2_tmp,rescore_tmp,
+     &                                idomain_tmp,
      &                                rescore3_tmp,idomain_tmp
              i_tmp=i_tmp+nnt-1
              idomain(k,i_tmp)=idomain_tmp
              rescore(k,i_tmp)=rescore_tmp
              rescore2(k,i_tmp)=rescore2_tmp
              rescore3(k,i_tmp)=rescore3_tmp
-             write(iout,'(a7,i5,3f10.5,i5)') "rescore",
+             write(iout,'(a7,i5,2f10.5,i5)') "rescore",
      &                      i_tmp,rescore2_tmp,rescore_tmp,
      &                                rescore3_tmp,idomain_tmp
             else
@@ -358,6 +359,7 @@ c              write (iout,*) "xxtpl(",k,i,") =",xxtpl(k,i)
 c              write (iout,*) "yytpl(",k,i,") =",yytpl(k,i)
 c              write (iout,*) "zztpl(",k,i,") =",zztpl(k,i)
 c              write(iout,*)  "rescore(",k,i,") =",rescore(k,i)
+c               sigma_d(k,i)=rescore(k,i) !  right expression ?
                sigma_d(k,i)=rescore3(k,i) !  right expression ?
                if (sigma_d(k,i).ne.0)
      &          sigma_d(k,i)=1.0d0/(sigma_d(k,i)*sigma_d(k,i))