Merge branch 'prerelease-3.2.1' into czarek

Conflicts:
	bin/unres/MD/unres_gfortran_single_GAB.exe
	bin/unres/MD/unres_ifort_MPICH_GAB.exe
	source/unres/src_MD/cinfo.f

diff --combined source/unres/src_MD/energy_p_new_barrier.F
index d2cea5f,a2eb0f9..8d588af
--- 1/source/unres/src_MD/energy_p_new_barrier.F
--- 2/source/unres/src_MD/energy_p_new_barrier.F
+++ b/source/unres/src_MD/energy_p_new_barrier.F
@@@ -134,7 -134,7 +134,7 @@@
  cmc
  cmc Sep-06: egb takes care of dynamic ss bonds too
  cmc
-       if (dyn_ss) call dyn_set_nss
+ c      if (dyn_ss) call dyn_set_nss
  
  c      print *,"Processor",myrank," computed USCSC"
  #ifdef TIMING
@@@ -331,6 -331,7 +331,7 @@@
        energia(23)=evdw_m
  c      print *," Processor",myrank," calls SUM_ENERGY"
        call sum_energy(energia,.true.)
+       if (dyn_ss) call dyn_set_nss
  c      print *," Processor",myrank," left SUM_ENERGY"
  #ifdef TIMING
  #ifdef MPI
@@@ -4259,8 -4260,8 +4260,8 @@@
        include 'COMMON.IOUNITS'
        dimension ggg(3)
        ehpb=0.0D0
 -cd      write(iout,*)'edis: nhpb=',nhpb,' fbr=',fbr
 -cd      write(iout,*)'link_start=',link_start,' link_end=',link_end
 +c      write(iout,*)'edis: nhpb=',nhpb,' fbr=',fbr
 +c      write(iout,*)'link_start=',link_start,' link_end=',link_end
        if (link_end.eq.0) return
        do i=link_start,link_end
  C If ihpb(i) and jhpb(i) > NRES, this is a SC-SC distance, otherwise a
@@@ -4288,6 -4289,7 +4289,6 @@@ C 15/02/13 CC dynamic SSbond - addition
            call ssbond_ene(iii,jjj,eij)
            ehpb=ehpb+2*eij
           endif
 -cd          write (iout,*) "eij",eij
          else if (ii.gt.nres .and. jj.gt.nres) then
  c Restraints from contact prediction
            dd=dist(ii,jj)
@@@ -4427,7 -4429,6 +4428,7 @@@ c      dscj_inv=dsc_inv(itypj
        eij=akcm*deltad*deltad+akth*(deltat1*deltat1+deltat2*deltat2)
       &  +akct*deltad*deltat12+ebr
       &  +v1ss*cosphi+v2ss*cosphi*cosphi+v3ss*cosphi*cosphi*cosphi
 +     &  +ss_depth
  c      write(iout,*) i,j,"rij",rij,"d0cm",d0cm," akcm",akcm," akth",akth,
  c     &  " akct",akct," deltad",deltad," deltat",deltat1,deltat2,
  c     &  " deltat12",deltat12," eij",eij