X-Git-Url: http://mmka.chem.univ.gda.pl/gitweb/?a=blobdiff_plain;f=source%2Fwham%2Fsrc%2Fenecalc1.F;h=3d878ad9547103806345d80ad3d9374442f86630;hb=6304fe426dd266ba99503f2cc4a5b9d396511b2f;hp=c8901ad610e8d771ca733f30a2117901fdbf748d;hpb=09087fef23592a51ad0d09815c3fc5f10e352a7b;p=unres.git

diff --git a/source/wham/src/enecalc1.F b/source/wham/src/enecalc1.F
index c8901ad..3d878ad 100644
--- a/source/wham/src/enecalc1.F
+++ b/source/wham/src/enecalc1.F
@@ -167,6 +167,8 @@ c     &   " kfac",kfac,"quot",quot," fT",fT
         call etotal(energia(0),fT)
         if (constr_homology) energia(0)=energia(0)+
      &   waga_homology(iset)*energia(22)
+        write (iout,*) "constr_homology",constr_homology," iset",iset,
+     &   " waga_homology",waga_homology(iset)
 #ifdef DEBUG
         write (iout,*) "Conformation",i
         call enerprint(energia(0),fT)
@@ -519,7 +521,7 @@ c        else
 c     &    potE(i,iparm),-entfac(i),rms_nat,iscore
      &    potE(i,nparmset),-entfac(i),rms_nat,iscore
 c        endif
-        write (iout,'(2i5,3e15.5)') i,me,potE(i,iparm),-entfac(i)
+c        write (iout,'(2i5,3e15.5)') i,me,potE(i,iparm),-entfac(i)
 #ifndef MPI
         if (cxfile) call cxwrite(ixdrf,csingle,potE(i,nparmset),
      &    -entfac(i),rms_nat,iscore)