coment debug
authorAdam Sieradzan <adasko@piasek4.chem.univ.gda.pl>
Tue, 6 Apr 2021 14:11:28 +0000 (16:11 +0200)
committerAdam Sieradzan <adasko@piasek4.chem.univ.gda.pl>
Tue, 6 Apr 2021 14:11:28 +0000 (16:11 +0200)
source/unres/energy.F90

index ec3ffd4..677e970 100644 (file)
@@ -16730,13 +16730,13 @@ chip1=chip(itypi)
 #endif
 !#define DEBUG
 !el      write (iout,*) "After sum_gradient"
-#ifdef DEBUG
-      write (iout,*) "After 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
+!#ifdef DEBUG
+!      write (iout,*) "After 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
 !#undef DEBUG
 ! If performing constraint dynamics, add the gradients of the constraint energy
       if(usampl.and.totT.gt.eq_time) then