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[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 effd955..b5ba82a 100644 (file)
--- a/source/unres/src_MD-M/gradient_p.F
+++ b/source/unres/src_MD-M/gradient_p.F
@@ -292,9 +292,11 @@ c If performing constraint dynamics, add the gradients of the constraint energy
          do i=1,nres-3
            gloc(i,icg)=gloc(i,icg)+dugamma(i)
          enddo
+      write(iout,*) "TU JESTEM?"
          do i=1,nres-2
            gloc(nphi+i,icg)=gloc(nphi+i,icg)+dutheta(i)
          enddo
+        write(iout,*) "TU JESTEM?"
       endif 
 #ifdef TIMING
       time01=MPI_Wtime()
@@ -345,6 +347,7 @@ C-------------------------------------------------------------------------
       include 'COMMON.CHAIN'
       include 'COMMON.VAR'
       include 'COMMON.MD'
+      include 'COMMON.SCCOR'
 C
 C Initialize Cartesian-coordinate gradient
 C
@@ -380,6 +383,9 @@ C
           gradx(j,i,icg)=0.0d0
           gscloc(j,i)=0.0d0
           gsclocx(j,i)=0.0d0
+          do intertyp=1,3
+           gloc_sc(intertyp,i,icg)=0.0d0
+          enddo
         enddo
       enddo
 C