X-Git-Url: http://mmka.chem.univ.gda.pl/gitweb/?a=blobdiff_plain;f=source%2Funres%2Fsrc_MD-M%2Fgradient_p.F;h=d0709d2682616a8264f561ccb5eba2a92135b3e7;hb=82175e15828d8aa5385d50d1a140bc736afc90c3;hp=7295d2ee648ef9c135a9ded784dd59a42ded0192;hpb=d0d389b657069f2239991163a15a46c42a36e097;p=unres.git

diff --git a/source/unres/src_MD-M/gradient_p.F b/source/unres/src_MD-M/gradient_p.F
index 7295d2e..d0709d2 100644
--- a/source/unres/src_MD-M/gradient_p.F
+++ b/source/unres/src_MD-M/gradient_p.F
@@ -271,6 +271,13 @@ c
       time00=MPI_Wtime()
 #endif
       icg=1
+#ifdef DEBUG
+      write (iout,*) "Before sum_gradient"
+      do i=1,nres-1
+        write (iout,*) i," gradc  ",(gradc(j,i,icg),j=1,3)
+        write (iout,*) i," gradx  ",(gradx(j,i,icg),j=1,3)
+      enddo
+#endif
       call sum_gradient
 #ifdef TIMING
 #endif
@@ -365,6 +372,8 @@ C
           gel_loc_long(j,i)=0.0d0
 	  ghpbc(j,i)=0.0D0
 	  ghpbx(j,i)=0.0D0
+	  gsaxsc(j,i)=0.0D0
+	  gsaxsx(j,i)=0.0D0
           gcorr3_turn(j,i)=0.0d0
           gcorr4_turn(j,i)=0.0d0
           gradcorr(j,i)=0.0d0