CONSTR_HOMOL in mutlichain, debug and output cleaning

[unres.git] / source / cluster / wham / src / probabl.F

diff --git a/source/cluster/wham/src/probabl.F b/source/cluster/wham/src/probabl.F
index 3071d4c..da1bf5c 100644 (file)
--- a/source/cluster/wham/src/probabl.F
+++ b/source/cluster/wham/src/probabl.F
@@ -83,7 +83,11 @@ c      enddo
      &             dlog(dexp(quotl)+dexp(-quotl))
               enddo
 c              write (iout,*) 1.0d0/(beta_h(ib)*1.987D-3),ft
-              call flush(iout)
+c#ifdef AIX
+c      call flush_(iout)
+c#else
+c      call flush(iout)
+c#endif
             endif
 
 #ifdef MPI
@@ -94,7 +98,7 @@ c              write (iout,*) 1.0d0/(beta_h(ib)*1.987D-3),ft
         ii=i
 #endif
 c        write (iout,*) "i",i," ii",ii
-        call flush(iout)
+c        call flush(iout)
         if (ib.eq.1) then
           do j=1,nres
             do k=1,3
@@ -115,7 +119,7 @@ c        write (iout,*) "i",i," ii",ii
           call etotal(energia(0),fT)
           totfree(i)=energia(0)
 #ifdef DEBUG
-          write (iout,*) i," energia",(energia(j),j=0,20)
+          write (iout,*) "Conformation",i
           call enerprint(energia(0),ft)
       write (iout,'(a,3(3x,a5),5x,3(3x,a5))')
      & "Residue","X(CA)","Y(CA)","Z(CA)","X(SC)","Y(SC)","Z(SC)"
@@ -125,8 +129,8 @@ c        write (iout,*) "i",i," ii",ii
      &    (c(j,ires+nres),j=1,3)
       enddo
 
-          call intout
-          call flush(iout)
+c          call intout
+c          call flush(iout)
 #endif
           do k=1,max_ene
             enetb(k,i)=energia(k)