X-Git-Url: http://mmka.chem.univ.gda.pl/gitweb/?a=blobdiff_plain;f=source%2Funres%2Fcompare.F90;h=45ed3e589959d3da2ce036b810388d2e7dcda151;hb=52d6371a0781ac6214af501666a2fbffbded3a40;hp=eb8ea68199b93de9bd96e31e7afdf21b6bfc6165;hpb=a280f55746ca567cfd02f1184da61a28fbe9ebc7;p=unres4.git diff --git a/source/unres/compare.F90 b/source/unres/compare.F90 index eb8ea68..45ed3e5 100644 --- a/source/unres/compare.F90 +++ b/source/unres/compare.F90 @@ -4196,7 +4196,7 @@ do i=nnt,nct if (itype(i,1).ne.10) then !d print *,'i=',i,' itype=',itype(i,1),' theta=',theta(i+1) - call gen_side(itype(i,1),theta(i+1),alph(i),omeg(i),fail) + call gen_side(itype(i,1),theta(i+1),alph(i),omeg(i),fail,1) endif enddo call chainbuild @@ -4212,7 +4212,7 @@ alph0=alph(ind_sc) omeg0=omeg(ind_sc) call gen_side(itype(ind_sc,1),theta(ind_sc+1),alph(ind_sc),& - omeg(ind_sc),fail) + omeg(ind_sc),fail,1) call chainbuild call etotal(energia) !d write (iout,'(a,i5,a,i4,2(a,f8.3),2(a,1pe14.5))')