X-Git-Url: http://mmka.chem.univ.gda.pl/gitweb/?a=blobdiff_plain;f=source%2Funres%2Fsrc_MD-M%2Fenergy_p_new_barrier.F;h=fa6c1dec1801127b09f9bdc5be817bacc04a51ff;hb=b37a3878ca880436ac8085b403710c222500f4b5;hp=0ba8f26f7f5b1b9233c0f7514fc49442d39b73b8;hpb=fee3e9e4771d098bd9d7b6c3a7b91f0e42cea2c6;p=unres.git diff --git a/source/unres/src_MD-M/energy_p_new_barrier.F b/source/unres/src_MD-M/energy_p_new_barrier.F index 0ba8f26..fa6c1de 100644 --- a/source/unres/src_MD-M/energy_p_new_barrier.F +++ b/source/unres/src_MD-M/energy_p_new_barrier.F @@ -4081,18 +4081,12 @@ cmc if (ii.gt.nres .and. itype(iii).eq.1 .and. itype(jjj).eq.1) then C 18/07/06 MC: Use the convention that the first nss pairs are SS bonds if (.not.dyn_ss .and. i.le.nss) then C 15/02/13 CC dynamic SSbond - additional check -<<<<<<< HEAD if (ii.gt.nres .and. iabs(itype(iii)).eq.1 .and. & iabs(itype(jjj)).eq.1) then -======= - if (ii.gt.nres - & .and. itype(iii).eq.1 .and. itype(jjj).eq.1) then ->>>>>>> prerelease-3.2.1 call ssbond_ene(iii,jjj,eij) ehpb=ehpb+2*eij endif cd write (iout,*) "eij",eij - endif else C Calculate the distance between the two points and its difference from the C target distance.