zmiany w Cmake i dodanie sprawdzenia gradientu

[unres.git] / source / unres / src_MD-M / MD.F

diff --git a/source/unres/src_MD-M/MD.F b/source/unres/src_MD-M/MD.F
index f65a527..b740de7 100644 (file)
--- a/source/unres/src_MD-M/MD.F
+++ b/source/unres/src_MD-M/MD.F
@@ -209,9 +209,12 @@ c Variable time step algorithm.
         write (67,'(80f10.5)') (v_transf(i),i=1,ind)
 #endif
         endif
+        call check_cartgrad
         if (mod(itime,ntwx).eq.0) then
           write (tytul,'("time",f8.2)') totT
           if(mdpdb) then
+             call check_cartgrad
+             write(iout,*) "kupa gowna"
              call hairpin(.true.,nharp,iharp)
              call secondary2(.true.)
              call pdbout(potE,tytul,ipdb)