Merge branch 'prerelease-3.2.1' of mmka.chem.univ.gda.pl:unres into prerelease-3.2.1

[unres.git] / source / unres / src_MIN / unres_min.F

diff --git a/source/unres/src_MIN/unres_min.F b/source/unres/src_MIN/unres_min.F
index 1e97d6e..f1a33c8 100644 (file)
--- a/source/unres/src_MIN/unres_min.F
+++ b/source/unres/src_MIN/unres_min.F
@@ -78,7 +78,8 @@ C Fine-grain slaves just do energy and gradient components.
       else if (modecalc.eq.5) then
          call exec_checkgrad
       else
-        write (iout,'(a)') 'This calculation type is not supported',
+        write (iout,'(a,i5)') 
+     &   'This calculation type is not supported',
      &   ModeCalc
       endif
 #ifdef MPI
@@ -141,6 +142,18 @@ c      call hairpin(.true.,nharp,iharp)
 c      call secondary2(.true.)
       if (minim) then
 
+crc overlap test
+        if (overlapsc) then
+          print *, 'Calling OVERLAP_SC'
+          call overlap_sc(fail)
+        endif
+
+        if (searchsc) then
+          call sc_move(2,nres-1,10,1d10,nft_sc,etot)
+          print *,'SC_move',nft_sc,etot
+          write(iout,*) 'SC_move',nft_sc,etot
+        endif
+
         if (dccart) then
           print *, 'Calling MINIM_DC'
 #ifdef MPI