X-Git-Url: http://mmka.chem.univ.gda.pl/gitweb/?a=blobdiff_plain;f=source%2Funres%2Fsrc_MD%2Freadrtns.F;h=b731cf28414c43f932795c94404fde7f533ab1d1;hb=b416cd95f5e18db88f1bba9c9de8cf005a6557f4;hp=636c6a461f31b04d7eeccc323331cfe9c15792c7;hpb=4c241ccc72db176021841c5e42d641ff2532f74c;p=unres.git diff --git a/source/unres/src_MD/readrtns.F b/source/unres/src_MD/readrtns.F index 636c6a4..b731cf2 100644 --- a/source/unres/src_MD/readrtns.F +++ b/source/unres/src_MD/readrtns.F @@ -2841,7 +2841,7 @@ c & sigma_odl_temp(i+nnt-1,j+nnt-1,k) c enddo c 1401 continue c close (ientin) - if (waga_dist.gt.0.0d0) then + if (waga_dist.ne.0.0d0) then ii=0 do i = nnt,nct-2 ! right? without parallel. do j=i+2,nct ! right? @@ -3006,7 +3006,7 @@ c read (ientin,*) sigma_d(k,i) ! 1st variant endif close(ientin) enddo - if (waga_dist.gt.0.0d0) lim_odl=ii + if (waga_dist.ne.0.0d0) lim_odl=ii if (constr_homology.gt.0) call homology_partition if (constr_homology.gt.0) call init_int_table cd write (iout,*) "homology_partition: lim_theta= ",lim_theta,