multichain cleaning output

[unres.git] / source / unres / src_MD / minimize_p.F

diff --git a/source/unres/src_MD/minimize_p.F b/source/unres/src_MD/minimize_p.F
index 14c8bd8..dbf9629 100644 (file)
--- a/source/unres/src_MD/minimize_p.F
+++ b/source/unres/src_MD/minimize_p.F
@@ -242,6 +242,8 @@ c sum it over FG_COMM
           call MPI_Barrier(FG_COMM,IERR)
           call MPI_Reduce(e_tmp,ehomology_constr,1,
      &    MPI_DOUBLE_PRECISION,MPI_SUM,king,FG_COMM,IERR)
+        else if (iorder.eq.13) then
+          call chainbuild
         endif
       enddo
       write (*,*) 'Processor',fg_rank,' CG group',kolor,
@@ -281,7 +283,7 @@ cd    write (iout,*) 'ETOTAL called from FUNC'
       f=energia(0)
 c     if (jjj.gt.0) then
 c       write (iout,'(10f8.3)') (rad2deg*x(i),i=1,n)
-c       write (iout,*) 'f=',etot
+c       write (iout,*) 'f=',f
 c       jjj=0
 c     endif
       return