ENERGY_DEC printout works for ebend in E0LL2Y forcefield
authorCezary Czaplewski <czarek@chem.univ.gda.pl>
Mon, 26 Oct 2015 11:13:10 +0000 (12:13 +0100)
committerCezary Czaplewski <czarek@chem.univ.gda.pl>
Mon, 26 Oct 2015 11:13:10 +0000 (12:13 +0100)
source/unres/src_MD/energy_p_new_barrier.F

index 0c6dd2e..61cf2d9 100644 (file)
@@ -4946,6 +4946,8 @@ C        if (i.gt.3) then
      &  'ebe', i,theta(i)*rad2deg,phii*rad2deg,
      &   phii1*rad2deg,ethetai
         etheta=etheta+ethetai
+        if (energy_dec) write (iout,'(a6,i5,0pf7.3)')
+     &      'ebend',i,ethetai
         if (i.gt.3) gloc(i-3,icg)=gloc(i-3,icg)+wang*dephii
         if (i.lt.nres) gloc(i-2,icg)=gloc(i-2,icg)+wang*dephii1
         gloc(nphi+i-2,icg)=wang*dethetai