X-Git-Url: http://mmka.chem.univ.gda.pl/gitweb/?a=blobdiff_plain;ds=sidebyside;f=source%2Funres%2Fsrc_MD%2Fminimize_p.F;h=dbf9629bb2bad80666afac675cea8bda9242089a;hb=3e42b5f53e0ec03cd03009f3b857931ce7ee25c2;hp=14c8bd84e6b6496d6c46de8bf3c2e86e82518859;hpb=f8bf5781b10c8f2efe7a7e09b56f45f1212c88a7;p=unres.git

diff --git a/source/unres/src_MD/minimize_p.F b/source/unres/src_MD/minimize_p.F
index 14c8bd8..dbf9629 100644
--- 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