saxs and adam's corrections to multichain

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

diff --git a/source/unres/src_MD-M/gradient_p.F b/source/unres/src_MD-M/gradient_p.F
index 7295d2e..d0709d2 100644 (file)
--- 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