X-Git-Url: http://mmka.chem.univ.gda.pl/gitweb/?a=blobdiff_plain;f=source%2Funres%2Fcontrol.F90;fp=source%2Funres%2Fcontrol.F90;h=413fe236160864f2f5c4d7513250aea4c7f6f6e1;hb=9b36766b4b62536253dcc78a6591c620f27b46fb;hp=8b908c1247a47619aacda5cb56ed8ad9b0ec950e;hpb=705644e0cbb7678faefd6fe1bc436159d38ad85d;p=unres4.git diff --git a/source/unres/control.F90 b/source/unres/control.F90 index 8b908c1..413fe23 100644 --- a/source/unres/control.F90 +++ b/source/unres/control.F90 @@ -1020,10 +1020,15 @@ ibond_nucl_start=ibond_nucl_start+nnt_molec(2)-1 ibond_nucl_end=ibond_nucl_end+nnt_molec(2)-1 print *,"NUCLibond",ibond_nucl_start,ibond_nucl_end + if (nres_molec(2).ne.0) then print *, "before devision",nnt_molec(2),nct_molec(2)-nnt_molec(2) call int_bounds(nct_molec(2)-nnt_molec(2),ibondp_nucl_start,ibondp_nucl_end) ibondp_nucl_start=ibondp_nucl_start+nnt_molec(2) ibondp_nucl_end=ibondp_nucl_end+nnt_molec(2) + else + ibondp_nucl_start=1 + ibondp_nucl_end=0 + endif print *,"NUCLibond2",ibondp_nucl_start,ibondp_nucl_end