X-Git-Url: http://mmka.chem.univ.gda.pl/gitweb/?a=blobdiff_plain;f=source%2Funres%2Fsrc_MD%2Fenergy_p_new_barrier.F;h=61cf2d9890ef5fc154d8e62c087b8ea4dda434e3;hb=c7d2c0d4e5849d3a552c949a169e8fb69befdad4;hp=0c6dd2edf83ef119ca8a0eb0320ba3045cf875eb;hpb=1606659deecc011a796adf776369c5560fbd1f45;p=unres.git diff --git a/source/unres/src_MD/energy_p_new_barrier.F b/source/unres/src_MD/energy_p_new_barrier.F index 0c6dd2e..61cf2d9 100644 --- a/source/unres/src_MD/energy_p_new_barrier.F +++ b/source/unres/src_MD/energy_p_new_barrier.F @@ -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