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=e7a75c5f4fa5e7080475f2c6b0fcd4af3bb31e72;hp=2c670f2539f0698e2eb739f9deb9205ba443dbc7;hpb=149383c65d245f0628668c5c5fa4a1bc76a48839;p=unres.git diff --git a/source/unres/src_MD-M/gradient_p.F b/source/unres/src_MD-M/gradient_p.F index 2c670f2..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()