X-Git-Url: http://mmka.chem.univ.gda.pl/gitweb/?a=blobdiff_plain;ds=sidebyside;f=source%2Fwham%2Fsrc%2Fmake_ensemble1.F;h=87eb215969fffe3cb34c9a88f5ebb5e5014f62e8;hb=26591bffd0d706caeed1e3b49f76215dc2411363;hp=71d65db3ec31633d2b6f49c5f982d32c2fad6633;hpb=357148eb01c1ea7e5cfd362d34f1e1ab61c8f2a8;p=unres.git diff --git a/source/wham/src/make_ensemble1.F b/source/wham/src/make_ensemble1.F index 71d65db..87eb215 100644 --- a/source/wham/src/make_ensemble1.F +++ b/source/wham/src/make_ensemble1.F @@ -163,6 +163,8 @@ c write (iout,*) 1.0d0/(beta_h(ib,iparm)*1.987D-3),ft esccor=enetb(19,i,iparm) edihcnstr=enetb(20,i,iparm) ehomology_constr=enetb(22,i,iparm) + if (homol_nset.gt.1) + & ehomology_constr=waga_homology(homol_nset)*ehomology_constr #ifdef SPLITELE etot=wsc*(evdw+ft(6)*evdw_t)+wscp*evdw2+ft(1)*welec*ees & +wvdwpp*evdw1