correction in returnbox

[unres4.git] / source / unres / unres.f90

diff --git a/source/unres/unres.f90 b/source/unres/unres.f90
index 40c0140..3d31629 100644 (file)
--- a/source/unres/unres.f90
+++ b/source/unres/unres.f90
@@ -164,6 +164,7 @@
 #endif
       print *,'Start MD'
       call alloc_MD_arrays
+      print *,'After MD alloc'
 !      if (me.eq.king .or. .not. out1file) &
 !         write (iout,*) "Calling chainbuild"
 !      call chainbuild
@@ -346,7 +347,7 @@
           write (iout,'(a,i20)') '# of energy evaluations:',nfun+1
           write (iout,'(a,f16.3)')'# of energy evaluations/sec:',evals
       else
-        print *,'refstr=',refstr
+        print *,'refstr=',refstr,frac,frac_nn,co
         if (refstr) call rms_nac_nnc(rms,frac,frac_nn,co,.true.)
         print *,"after rms_nac_ncc"
         call briefout(0,etot)