X-Git-Url: http://mmka.chem.univ.gda.pl/gitweb/?a=blobdiff_plain;f=source%2Funres%2Fcontrol.F90;h=413fe236160864f2f5c4d7513250aea4c7f6f6e1;hb=9b36766b4b62536253dcc78a6591c620f27b46fb;hp=db5413f465b6a4fdeacefe9b2ca37e165e2ae217;hpb=aeaa0a995cbe76e90e4701f7df3aa7cdd17c8555;p=unres4.git diff --git a/source/unres/control.F90 b/source/unres/control.F90 index db5413f..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 @@ -1922,6 +1927,7 @@ nside=0 do i=2,nres-1 mnum=molnum(i) + write(iout,*) "i",molnum(i) #ifdef WHAM_RUN if (itype(i,1).ne.10) then #else