X-Git-Url: http://mmka.chem.univ.gda.pl/gitweb/?a=blobdiff_plain;f=source%2Funres%2Fsrc-HCD-5D%2Freadrtns_CSA.F;fp=source%2Funres%2Fsrc-HCD-5D%2Freadrtns_CSA.F;h=b24a58257ab087b5605e8669cd6dcd450b68ee97;hb=1dfacbdf699b16f798e16a8614c24c79d164f502;hp=4fbc0f121ae9ddd2625a465a0f9e359b9ca8a3cd;hpb=0b471fb8661589b3c55ad68efd9e39f89e1fb9be;p=unres.git diff --git a/source/unres/src-HCD-5D/readrtns_CSA.F b/source/unres/src-HCD-5D/readrtns_CSA.F index 4fbc0f1..b24a582 100644 --- a/source/unres/src-HCD-5D/readrtns_CSA.F +++ b/source/unres/src-HCD-5D/readrtns_CSA.F @@ -3265,8 +3265,8 @@ c & constr_homology endif sigma_odl(k,ii)=1.0d0/(sigma_odl(k,ii)*sigma_odl(k,ii)) else - ii=ii+1 - l_homo(k,ii)=.false. +ct ii=ii+1 +ct l_homo(k,ii)=.false. endif enddo enddo @@ -3456,7 +3456,7 @@ cd write(iout,*) "waga_theta",waga_theta,"waga_d",waga_d if(me.eq.king .or. .not. out1file .and. fg_rank.eq.0) then write (iout,*) "Distance restraints from templates" do ii=1,lim_odl - write(iout,'(3i5,100(2f8.2,1x,l1,4x))') + write(iout,'(i8,2i5,100(f8.2,e12.4,1x,l1,4x))') & ii,ires_homo(ii),jres_homo(ii), & (odl(ki,ii),1.0d0/dsqrt(sigma_odl(ki,ii)),l_homo(ki,ii), & ki=1,constr_homology)