X-Git-Url: http://mmka.chem.univ.gda.pl/gitweb/?a=blobdiff_plain;f=source%2Funres%2Fsrc_MD-M%2Funres.F;h=c2c56f512e2512b5f947b6a26fcc0e13c4dd07a3;hb=fe9e3a2f1191191edd529c64aba73f2b98723a47;hp=c3e8e235c6be3d4f5b542096c235f2fc5edcef8d;hpb=c02ab80467e87b98e75cb60ebe41914e4a4caa64;p=unres.git

diff --git a/source/unres/src_MD-M/unres.F b/source/unres/src_MD-M/unres.F
index c3e8e23..c2c56f5 100644
--- a/source/unres/src_MD-M/unres.F
+++ b/source/unres/src_MD-M/unres.F
@@ -94,6 +94,7 @@ C Fine-grain slaves just do energy and gradient components.
         call exec_mult_eeval_or_minim
       else if (modecalc.eq.5) then
         call exec_checkgrad
+        call exec_checkgrad
       else if (ModeCalc.eq.7) then
         call exec_map
       else if (ModeCalc.eq.8) then
@@ -188,6 +189,7 @@ c---------------------------------------------------------------------------
       common /srutu/ icall
       double precision energy(0:n_ene)
       double precision energy_long(0:n_ene),energy_short(0:n_ene)
+      double precision varia(maxvar)
       if (indpdb.eq.0) call chainbuild
       time00=MPI_Wtime()
       call chainbuild_cart
@@ -705,9 +707,14 @@ c      enddo
       write (iout,*) "Uconst",Uconst," Uconst_back",uconst_back
       print *,'icheckgrad=',icheckgrad
       goto (10,20,30) icheckgrad
-  10  call check_ecartint
+  10  print *,'kurwa0'
+      call check_ecartint
+      print *,'kurwa'
+      call check_ecartint
       return
-  20  call check_cartgrad
+  20  print *,'ja pierdole'
+      call check_cartgrad
+      call check_cartgrad
       return
   30  call check_eint
       return