Added an option to compile unres, wham, and cluster on the homology branch

[unres.git] / source / unres / src_MD / energy_p_new_barrier.F

diff --git a/source/unres/src_MD/energy_p_new_barrier.F b/source/unres/src_MD/energy_p_new_barrier.F
index d07d135..60cb90b 100644 (file)
--- a/source/unres/src_MD/energy_p_new_barrier.F
+++ b/source/unres/src_MD/energy_p_new_barrier.F
@@ -4862,6 +4862,8 @@ C
      & sinph1ph2(maxdouble,maxdouble)
       logical lprn /.false./, lprn1 /.false./
       etheta=0.0D0
+c      write (iout,*) "EBEND ithet_start",ithet_start,
+c     &     " ithet_end",ithet_end
       do i=ithet_start,ithet_end
         if ((itype(i-1).eq.ntyp1).or.(itype(i-2).eq.ntyp1).or.
      &(itype(i).eq.ntyp1)) cycle
@@ -6525,9 +6527,12 @@ c
      &              waga_theta*Eval+waga_d*Erot)*waga_homology(iset)
 c     write (iout,*) "ehomology_constr=",ehomology_constr
       endif
-c     write (iout,*) "odleg",odleg," kat",kat," Uconst_back",Uconst_back
-c     write (iout,*) "ehomology_constr",ehomology_constr
-c     ehomology_constr=odleg+kat+Uconst_back
+#ifdef DEBUG
+      write (iout,*) "odleg",waga_dist,odleg," kat",waga_angle,kat,
+     & "Eval",waga_theta,eval,
+     &   "Erot",waga_d,Erot
+      write (iout,*) "ehomology_constr",ehomology_constr
+#endif
       return
 c
 c FP 01/15 end