X-Git-Url: http://mmka.chem.univ.gda.pl/gitweb/?a=blobdiff_plain;f=source%2Funres%2Fsrc_MD%2Fenergy_p_new_barrier.F;h=4f753e4ce6b3af4a57ac52b4279ad19dec03e752;hb=bf3833be5726ff746e67325e39794d2b6caba8ff;hp=b45c847f6d21f9b26a08fb8efe48a1e6c4de8bd6;hpb=24bf2425f244c8aa7b1e388fb012b2b86e50b462;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 b45c847..4f753e4 100644 --- a/source/unres/src_MD/energy_p_new_barrier.F +++ b/source/unres/src_MD/energy_p_new_barrier.F @@ -4928,11 +4928,11 @@ C enddo enddo 10 continue - lprn1=.true. +c lprn1=.true. if (lprn1) write (iout,'(a4,i2,3f8.1,9h ethetai ,f10.5)') & 'ebe', i,theta(i)*rad2deg,phii*rad2deg, & phii1*rad2deg,ethetai - lprn1=.false. +c lprn1=.false. etheta=etheta+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