X-Git-Url: http://mmka.chem.univ.gda.pl/gitweb/?a=blobdiff_plain;f=source%2Funres%2Fsrc_MD-M%2Fenergy_split-sep.F;h=dd72ab735a4d250bff2e03b3a5fcbe6ecc7fec18;hb=294e17e0754856766b19c5296e6f20d2bfab579f;hp=24ab8dd8389a159e6747f75c1c46cf03df56e4c7;hpb=478a9d9a1c99eb3f4bc4ca676ff3162bdd01d633;p=unres.git diff --git a/source/unres/src_MD-M/energy_split-sep.F b/source/unres/src_MD-M/energy_split-sep.F index 24ab8dd..dd72ab7 100644 --- a/source/unres/src_MD-M/energy_split-sep.F +++ b/source/unres/src_MD-M/energy_split-sep.F @@ -414,7 +414,7 @@ C from other distance constraints. C C Calculate the virtual-bond-angle energy. C - call ebend(ebe) + call ebend(ebe,ethetacnstr) C C Calculate the SC local energy. C @@ -463,6 +463,7 @@ C energia(17)=estr energia(19)=edihcnstr energia(21)=esccor + energia(24)=ethetacnstr c write (iout,*) "ETOTAL_SHORT before SUM_ENERGY" call flush(iout) call sum_energy(energia,.true.)