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=66693b0684c228404e7aadcffe6d2a8c9f489063;hp=2c670f2539f0698e2eb739f9deb9205ba443dbc7;hpb=29a093f001749a47ac4054191a494bdc35178a39;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()