X-Git-Url: http://mmka.chem.univ.gda.pl/gitweb/?a=blobdiff_plain;f=source%2Fwham%2Fsrc%2Fenergy_p_new.F;h=5cfdcceb396437fcc8ee04e406d85060de91f610;hb=fc28ced95540ff82bc797dd8cd0f47ba844d93f6;hp=50417124ae9e046f0e1a87724812730344cf69db;hpb=4c8df5bfd461b8509158a9d5e54f705a99c69fed;p=unres.git diff --git a/source/wham/src/energy_p_new.F b/source/wham/src/energy_p_new.F index 5041712..5cfdcce 100644 --- a/source/wham/src/energy_p_new.F +++ b/source/wham/src/energy_p_new.F @@ -133,7 +133,7 @@ c write (iout,*) "ft(6)",fact(6)," evdw",evdw," evdw_t",evdw_t & +wcorr6*fact(5)*ecorr6+wturn4*fact(3)*eello_turn4 & +wturn3*fact(2)*eello_turn3+wturn6*fact(5)*eturn6 & +wel_loc*fact(2)*eel_loc+edihcnstr+wtor_d*fact(2)*etors_d - & +wbond*estr+wsccor*fact(1)*esccor!+ehomology_constr + & +wbond*estr+wsccor*fact(1)*esccor+ehomology_constr & +wdfa_dist*edfadis+wdfa_tor*edfator+wdfa_nei*edfanei & +wdfa_beta*edfabet #else @@ -144,7 +144,7 @@ c write (iout,*) "ft(6)",fact(6)," evdw",evdw," evdw_t",evdw_t & +wcorr6*fact(5)*ecorr6+wturn4*fact(3)*eello_turn4 & +wturn3*fact(2)*eello_turn3+wturn6*fact(5)*eturn6 & +wel_loc*fact(2)*eel_loc+edihcnstr+wtor_d*fact(2)*etors_d - & +wbond*estr+wsccor*fact(1)*esccor!+ehomology_constr + & +wbond*estr+wsccor*fact(1)*esccor+ehomology_constr & +wdfa_dist*edfadis+wdfa_tor*edfator+wdfa_nei*edfanei & +wdfa_beta*edfabet #endif