X-Git-Url: http://mmka.chem.univ.gda.pl/gitweb/?a=blobdiff_plain;f=source%2Funres%2Fsrc_MD-M%2Fgradient_p.F;h=b5ba82afdb8e02533ba03d05723e4f85bc2c913e;hb=011527c812bc7565286683042533a07bc550e130;hp=effd95519f12e6f3e3ad64c5241e806a6c059d2e;hpb=478a9d9a1c99eb3f4bc4ca676ff3162bdd01d633;p=unres.git

diff --git a/source/unres/src_MD-M/gradient_p.F b/source/unres/src_MD-M/gradient_p.F
index effd955..b5ba82a 100644
--- 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