BioD PNPI Git Repos - alexxy/gromacs.git/commit

biod.pnpi.spb.ru / alexxy / gromacs.git / commit

author	spoel <spoel>
	Mon, 17 Nov 2003 21:50:39 +0000 (21:50 +0000)
committer	spoel <spoel>
	Mon, 17 Nov 2003 21:50:39 +0000 (21:50 +0000)
commit	f65fdaf710aae8aad39acf46e66e44001d0143a1
tree	9b0d495e44f0250fcbf3cf6338ff55e0d0846c72	tree \| snapshot
parent	cb065a344e8ea11e0f19077079797868d2761855	commit \| diff

Upped the version to 3.2.0

568 files changed:

configure.ac		diff \| blob \| history
include/3dview.h		diff \| blob \| history
include/assert.h		diff \| blob \| history
include/atomprop.h		diff \| blob \| history
include/axp_asm.h		diff \| blob \| history
include/binio.h		diff \| blob \| history
include/block_tx.h		diff \| blob \| history
include/bondf.h		diff \| blob \| history
include/calcgrid.h		diff \| blob \| history
include/calch.h		diff \| blob \| history
include/calcmu.h		diff \| blob \| history
include/callf77.h		diff \| blob \| history
include/confio.h		diff \| blob \| history
include/constr.h		diff \| blob \| history
include/copyrite.h		diff \| blob \| history
include/detectcpu.h		diff \| blob \| history
include/dihre.h		diff \| blob \| history
include/disre.h		diff \| blob \| history
include/do_fit.h		diff \| blob \| history
include/do_md.h		diff \| blob \| history
include/dummies.h		diff \| blob \| history
include/ebin.h		diff \| blob \| history
include/edsam.h		diff \| blob \| history
include/enxio.h		diff \| blob \| history
include/ewald.h		diff \| blob \| history
include/ewald_util.h		diff \| blob \| history
include/fatal.h		diff \| blob \| history
include/ffscanf.h		diff \| blob \| history
include/fftgrid.h		diff \| blob \| history
include/fftw_wrapper.h		diff \| blob \| history
include/filenm.h		diff \| blob \| history
include/force.h		diff \| blob \| history
include/futil.h		diff \| blob \| history
include/gbutil.h		diff \| blob \| history
include/gmx_system_xdr.h		diff \| blob \| history
include/gmxcomplex.h		diff \| blob \| history
include/gmxfio.h		diff \| blob \| history
include/grompp.h		diff \| blob \| history
include/gstat.h		diff \| blob \| history
include/index.h		diff \| blob \| history
include/init.h		diff \| blob \| history
include/invblock.h		diff \| blob \| history
include/macros.h		diff \| blob \| history
include/magic.h		diff \| blob \| history
include/main.h		diff \| blob \| history
include/maths.h		diff \| blob \| history
include/matio.h		diff \| blob \| history
include/mdatoms.h		diff \| blob \| history
include/mdebin.h		diff \| blob \| history
include/mdrun.h		diff \| blob \| history
include/metacode.h		diff \| blob \| history
include/mshift.h		diff \| blob \| history
include/mvdata.h		diff \| blob \| history
include/names.h		diff \| blob \| history
include/network.h		diff \| blob \| history
include/nhash.h		diff \| blob \| history
include/nr.h		diff \| blob \| history
include/nrama.h		diff \| blob \| history
include/nrjac.h		diff \| blob \| history
include/nrnb.h		diff \| blob \| history
include/ns.h		diff \| blob \| history
include/nsb.h		diff \| blob \| history
include/nsgrid.h		diff \| blob \| history
include/orires.h		diff \| blob \| history
include/pbc.h		diff \| blob \| history
include/pdbio.h		diff \| blob \| history
include/pdebug.h		diff \| blob \| history
include/physics.h		diff \| blob \| history
include/pme.h		diff \| blob \| history
include/ppc_altivec.h		diff \| blob \| history
include/pppm.h		diff \| blob \| history
include/princ.h		diff \| blob \| history
include/pull.h		diff \| blob \| history
include/random.h		diff \| blob \| history
include/rbin.h		diff \| blob \| history
include/rdgroup.h		diff \| blob \| history
include/readcomp.h		diff \| blob \| history
include/readinp.h		diff \| blob \| history
include/renum.h		diff \| blob \| history
include/reorder.h		diff \| blob \| history
include/rmpbc.h		diff \| blob \| history
include/sheader.h		diff \| blob \| history
include/shift.h		diff \| blob \| history
include/shift_util.h		diff \| blob \| history
include/smalloc.h		diff \| blob \| history
include/sortwater.h		diff \| blob \| history
include/split.h		diff \| blob \| history
include/statusio.h		diff \| blob \| history
include/statutil.h		diff \| blob \| history
include/strdb.h		diff \| blob \| history
include/string2.h		diff \| blob \| history
include/struc2.h		diff \| blob \| history
include/superb.h		diff \| blob \| history
include/symtab.h		diff \| blob \| history
include/sysstuff.h		diff \| blob \| history
include/tags.h		diff \| blob \| history
include/tgroup.h		diff \| blob \| history
include/tpxio.h		diff \| blob \| history
include/transfer.h		diff \| blob \| history
include/trnio.h		diff \| blob \| history
include/txtdump.h		diff \| blob \| history
include/typedefs.h		diff \| blob \| history
include/types/atoms.h		diff \| blob \| history
include/types/block.h		diff \| blob \| history
include/types/commrec.h		diff \| blob \| history
include/types/edsams.h		diff \| blob \| history
include/types/energy.h		diff \| blob \| history
include/types/enums.h		diff \| blob \| history
include/types/fcdata.h		diff \| blob \| history
include/types/filenm.h		diff \| blob \| history
include/types/forcerec.h		diff \| blob \| history
include/types/graph.h		diff \| blob \| history
include/types/group.h		diff \| blob \| history
include/types/idef.h		diff \| blob \| history
include/types/ifunc.h		diff \| blob \| history
include/types/inputrec.h		diff \| blob \| history
include/types/ishift.h		diff \| blob \| history
include/types/matrix.h		diff \| blob \| history
include/types/mdatom.h		diff \| blob \| history
include/types/nblist.h		diff \| blob \| history
include/types/nbslist.h		diff \| blob \| history
include/types/nrnb.h		diff \| blob \| history
include/types/nsborder.h		diff \| blob \| history
include/types/nsgrid.h		diff \| blob \| history
include/types/parm.h		diff \| blob \| history
include/types/simple.h		diff \| blob \| history
include/types/state.h		diff \| blob \| history
include/types/symtab.h		diff \| blob \| history
include/types/topology.h		diff \| blob \| history
include/types/trx.h		diff \| blob \| history
include/update.h		diff \| blob \| history
include/utils.h		diff \| blob \| history
include/vcm.h		diff \| blob \| history
include/vec.h		diff \| blob \| history
include/viewit.h		diff \| blob \| history
include/wgms.h		diff \| blob \| history
include/wman.h		diff \| blob \| history
include/writeps.h		diff \| blob \| history
include/x86_3dnow.h		diff \| blob \| history
include/x86_sse.h		diff \| blob \| history
include/x86_sse2.h		diff \| blob \| history
include/xdrf.h		diff \| blob \| history
include/xtcio.h		diff \| blob \| history
include/xvgr.h		diff \| blob \| history
src/contrib/Makefile.am		diff \| blob \| history
src/contrib/addquote.c		diff \| blob \| history
src/contrib/anaf.c		diff \| blob \| history
src/contrib/calcfdev.c		diff \| blob \| history
src/contrib/copyrgt.c		diff \| blob \| history
src/contrib/do_shift.c		diff \| blob \| history
src/contrib/dsspcore.c		diff \| blob \| history
src/contrib/ehanal.c		diff \| blob \| history
src/contrib/ehdata.c		diff \| blob \| history
src/contrib/ehdata.h		diff \| blob \| history
src/contrib/ehole.c		diff \| blob \| history
src/contrib/g_anavel.c		diff \| blob \| history
src/contrib/glasmd.c		diff \| blob \| history
src/contrib/hexamer.c		diff \| blob \| history
src/contrib/hrefify.c		diff \| blob \| history
src/contrib/mk6_n.c		diff \| blob \| history
src/contrib/mkice.c		diff \| blob \| history
src/contrib/mkyaw.c		diff \| blob \| history
src/contrib/my_dssp.c		diff \| blob \| history
src/contrib/options.c		diff \| blob \| history
src/contrib/optwat.c		diff \| blob \| history
src/contrib/prfn.c		diff \| blob \| history
src/contrib/sigeps.c		diff \| blob \| history
src/contrib/test.c		diff \| blob \| history
src/gmxlib/3dview.c		diff \| blob \| history
src/gmxlib/atomprop.c		diff \| blob \| history
src/gmxlib/bfunc.h		diff \| blob \| history
src/gmxlib/block_tx.c		diff \| blob \| history
src/gmxlib/bondfree.c		diff \| blob \| history
src/gmxlib/calcgrid.c		diff \| blob \| history
src/gmxlib/calch.c		diff \| blob \| history
src/gmxlib/cinvsqrtdata.c		diff \| blob \| history
src/gmxlib/confio.c		diff \| blob \| history
src/gmxlib/copyrite.c		diff \| blob \| history
src/gmxlib/crecipdata.c		diff \| blob \| history
src/gmxlib/debugb.h		diff \| blob \| history
src/gmxlib/detectcpu.c		diff \| blob \| history
src/gmxlib/dihres.c		diff \| blob \| history
src/gmxlib/disre.c		diff \| blob \| history
src/gmxlib/dlb.h		diff \| blob \| history
src/gmxlib/do_fit.c		diff \| blob \| history
src/gmxlib/enxio.c		diff \| blob \| history
src/gmxlib/ewald_util.c		diff \| blob \| history
src/gmxlib/f77_wrappers.c		diff \| blob \| history
src/gmxlib/fatal.c		diff \| blob \| history
src/gmxlib/ffscanf.c		diff \| blob \| history
src/gmxlib/filenm.c		diff \| blob \| history
src/gmxlib/fnbf.c		diff \| blob \| history
src/gmxlib/four1.c		diff \| blob \| history
src/gmxlib/fourn.c		diff \| blob \| history
src/gmxlib/ftocstr.c		diff \| blob \| history
src/gmxlib/futil.c		diff \| blob \| history
src/gmxlib/gbutil.c		diff \| blob \| history
src/gmxlib/gmx_system_xdr.c		diff \| blob \| history
src/gmxlib/gmxfio.c		diff \| blob \| history
src/gmxlib/ifunc.c		diff \| blob \| history
src/gmxlib/index.c		diff \| blob \| history
src/gmxlib/inner.h		diff \| blob \| history
src/gmxlib/inner_altivec.c		diff \| blob \| history
src/gmxlib/invblock.c		diff \| blob \| history
src/gmxlib/libxdrf.c		diff \| blob \| history
src/gmxlib/macros.c		diff \| blob \| history
src/gmxlib/main.c		diff \| blob \| history
src/gmxlib/maths.c		diff \| blob \| history
src/gmxlib/matio.c		diff \| blob \| history
src/gmxlib/metacode.c		diff \| blob \| history
src/gmxlib/mgmx.c		diff \| blob \| history
src/gmxlib/mgmxtest.c		diff \| blob \| history
src/gmxlib/minvert.c		diff \| blob \| history
src/gmxlib/minvert.h		diff \| blob \| history
src/gmxlib/mkinl.c		diff \| blob \| history
src/gmxlib/mkinl.h		diff \| blob \| history
src/gmxlib/mkinl_calcdist.c		diff \| blob \| history
src/gmxlib/mkinl_declarations.c		diff \| blob \| history
src/gmxlib/mkinl_fortrandata.h		diff \| blob \| history
src/gmxlib/mkinl_innerloop.c		diff \| blob \| history
src/gmxlib/mkinl_interactions.c		diff \| blob \| history
src/gmxlib/mkinl_invsqrt.c		diff \| blob \| history
src/gmxlib/mkinl_outerloop.c		diff \| blob \| history
src/gmxlib/mkinl_recip.c		diff \| blob \| history
src/gmxlib/mshift.c		diff \| blob \| history
src/gmxlib/mvdata.c		diff \| blob \| history
src/gmxlib/mvxvf.c		diff \| blob \| history
src/gmxlib/names.c		diff \| blob \| history
src/gmxlib/network.c		diff \| blob \| history
src/gmxlib/nrama.c		diff \| blob \| history
src/gmxlib/nrjac.c		diff \| blob \| history
src/gmxlib/nrnb.c		diff \| blob \| history
src/gmxlib/orires.c		diff \| blob \| history
src/gmxlib/pargs.c		diff \| blob \| history
src/gmxlib/pbc.c		diff \| blob \| history
src/gmxlib/pdbio.c		diff \| blob \| history
src/gmxlib/princ.c		diff \| blob \| history
src/gmxlib/rando.c		diff \| blob \| history
src/gmxlib/random.c		diff \| blob \| history
src/gmxlib/rbin.c		diff \| blob \| history
src/gmxlib/rdgroup.c		diff \| blob \| history
src/gmxlib/readinp.c		diff \| blob \| history
src/gmxlib/repfirst.c		diff \| blob \| history
src/gmxlib/replace.c		diff \| blob \| history
src/gmxlib/replace.h		diff \| blob \| history
src/gmxlib/rmpbc.c		diff \| blob \| history
src/gmxlib/sheader.c		diff \| blob \| history
src/gmxlib/shift_util.c		diff \| blob \| history
src/gmxlib/smalloc.c		diff \| blob \| history
src/gmxlib/sortwater.c		diff \| blob \| history
src/gmxlib/stat.c		diff \| blob \| history
src/gmxlib/statutil.c		diff \| blob \| history
src/gmxlib/strdb.c		diff \| blob \| history
src/gmxlib/string2.c		diff \| blob \| history
src/gmxlib/symtab.c		diff \| blob \| history
src/gmxlib/testfft.c		diff \| blob \| history
src/gmxlib/testlr.c		diff \| blob \| history
src/gmxlib/testtab.c		diff \| blob \| history
src/gmxlib/testxml.c		diff \| blob \| history
src/gmxlib/threadsync.c		diff \| blob \| history
src/gmxlib/tpxio.c		diff \| blob \| history
src/gmxlib/trnio.c		diff \| blob \| history
src/gmxlib/trxio.c		diff \| blob \| history
src/gmxlib/tstsqrtc.c		diff \| blob \| history
src/gmxlib/txtdump.c		diff \| blob \| history
src/gmxlib/typedefs.c		diff \| blob \| history
src/gmxlib/vec.c		diff \| blob \| history
src/gmxlib/viewit.c		diff \| blob \| history
src/gmxlib/wgms.c		diff \| blob \| history
src/gmxlib/widget.c		diff \| blob \| history
src/gmxlib/widget.h		diff \| blob \| history
src/gmxlib/wman.c		diff \| blob \| history
src/gmxlib/writeps.c		diff \| blob \| history
src/gmxlib/xdrd.c		diff \| blob \| history
src/gmxlib/xmlio.c		diff \| blob \| history
src/gmxlib/xmlio.h		diff \| blob \| history
src/gmxlib/xtcio.c		diff \| blob \| history
src/gmxlib/xvgr.c		diff \| blob \| history
src/kernel/add_par.c		diff \| blob \| history
src/kernel/add_par.h		diff \| blob \| history
src/kernel/convparm.c		diff \| blob \| history
src/kernel/convparm.h		diff \| blob \| history
src/kernel/do_gct.c		diff \| blob \| history
src/kernel/dum_parm.c		diff \| blob \| history
src/kernel/dum_parm.h		diff \| blob \| history
src/kernel/ffscan.c		diff \| blob \| history
src/kernel/gctio.c		diff \| blob \| history
src/kernel/gen_ad.c		diff \| blob \| history
src/kernel/gen_ad.h		diff \| blob \| history
src/kernel/gen_dum.c		diff \| blob \| history
src/kernel/gen_dum.h		diff \| blob \| history
src/kernel/genalg.c		diff \| blob \| history
src/kernel/genalg.h		diff \| blob \| history
src/kernel/genhydro.c		diff \| blob \| history
src/kernel/genhydro.h		diff \| blob \| history
src/kernel/glaasje.c		diff \| blob \| history
src/kernel/glaasje.h		diff \| blob \| history
src/kernel/gmxcheck.c		diff \| blob \| history
src/kernel/gmxdump.c		diff \| blob \| history
src/kernel/grompp.c		diff \| blob \| history
src/kernel/h_db.c		diff \| blob \| history
src/kernel/h_db.h		diff \| blob \| history
src/kernel/hackblock.c		diff \| blob \| history
src/kernel/hackblock.h		diff \| blob \| history
src/kernel/hizzie.c		diff \| blob \| history
src/kernel/hizzie.h		diff \| blob \| history
src/kernel/init_sh.c		diff \| blob \| history
src/kernel/ion_data.h		diff \| blob \| history
src/kernel/ionize.c		diff \| blob \| history
src/kernel/ionize.h		diff \| blob \| history
src/kernel/luck.c		diff \| blob \| history
src/kernel/md.c		diff \| blob \| history
src/kernel/mdrun.c		diff \| blob \| history
src/kernel/mk_ghat.c		diff \| blob \| history
src/kernel/nm2type.c		diff \| blob \| history
src/kernel/pdb2gmx.c		diff \| blob \| history
src/kernel/pdb2top.c		diff \| blob \| history
src/kernel/pdb2top.h		diff \| blob \| history
src/kernel/pgutil.c		diff \| blob \| history
src/kernel/pgutil.h		diff \| blob \| history
src/kernel/protonate.c		diff \| blob \| history
src/kernel/readir.c		diff \| blob \| history
src/kernel/readir.h		diff \| blob \| history
src/kernel/relax_sh.c		diff \| blob \| history
src/kernel/resall.c		diff \| blob \| history
src/kernel/resall.h		diff \| blob \| history
src/kernel/rtp2xml.c		diff \| blob \| history
src/kernel/sorting.c		diff \| blob \| history
src/kernel/sorting.h		diff \| blob \| history
src/kernel/specbond.c		diff \| blob \| history
src/kernel/specbond.h		diff \| blob \| history
src/kernel/splitter.c		diff \| blob \| history
src/kernel/splitter.h		diff \| blob \| history
src/kernel/ter_db.c		diff \| blob \| history
src/kernel/ter_db.h		diff \| blob \| history
src/kernel/tomorse.c		diff \| blob \| history
src/kernel/topcat.c		diff \| blob \| history
src/kernel/topcat.h		diff \| blob \| history
src/kernel/topdef.h		diff \| blob \| history
src/kernel/topdirs.c		diff \| blob \| history
src/kernel/topdirs.h		diff \| blob \| history
src/kernel/topexcl.c		diff \| blob \| history
src/kernel/topexcl.h		diff \| blob \| history
src/kernel/topio.c		diff \| blob \| history
src/kernel/topio.h		diff \| blob \| history
src/kernel/toppush.c		diff \| blob \| history
src/kernel/toppush.h		diff \| blob \| history
src/kernel/topshake.c		diff \| blob \| history
src/kernel/topshake.h		diff \| blob \| history
src/kernel/toputil.c		diff \| blob \| history
src/kernel/toputil.h		diff \| blob \| history
src/kernel/tpbcmp.c		diff \| blob \| history
src/kernel/tpbcmp.h		diff \| blob \| history
src/kernel/tpbconv.c		diff \| blob \| history
src/kernel/x2top.c		diff \| blob \| history
src/kernel/x2top.h		diff \| blob \| history
src/kernel/xlate.c		diff \| blob \| history
src/kernel/xlate.h		diff \| blob \| history
src/kernel/xmdrun.h		diff \| blob \| history
src/kernel/xutils.c		diff \| blob \| history
src/mdlib/calcmu.c		diff \| blob \| history
src/mdlib/calcvir.c		diff \| blob \| history
src/mdlib/callf77.c		diff \| blob \| history
src/mdlib/clincs.c		diff \| blob \| history
src/mdlib/compnl.c		diff \| blob \| history
src/mdlib/constr.c		diff \| blob \| history
src/mdlib/coupling.c		diff \| blob \| history
src/mdlib/csettle.c		diff \| blob \| history
src/mdlib/dummies.c		diff \| blob \| history
src/mdlib/ebin.c		diff \| blob \| history
src/mdlib/edsam.c		diff \| blob \| history
src/mdlib/ewald.c		diff \| blob \| history
src/mdlib/fftgrid.c		diff \| blob \| history
src/mdlib/fletcher.c		diff \| blob \| history
src/mdlib/force.c		diff \| blob \| history
src/mdlib/ghat.c		diff \| blob \| history
src/mdlib/init.c		diff \| blob \| history
src/mdlib/mdatom.c		diff \| blob \| history
src/mdlib/mdebin.c		diff \| blob \| history
src/mdlib/minimize.c		diff \| blob \| history
src/mdlib/ns.c		diff \| blob \| history
src/mdlib/nsb.c		diff \| blob \| history
src/mdlib/nsgrid.c		diff \| blob \| history
src/mdlib/pme.c		diff \| blob \| history
src/mdlib/pppm.c		diff \| blob \| history
src/mdlib/pull.c		diff \| blob \| history
src/mdlib/pull_internal.h		diff \| blob \| history
src/mdlib/pullinit.c		diff \| blob \| history
src/mdlib/pullio.c		diff \| blob \| history
src/mdlib/pullutil.c		diff \| blob \| history
src/mdlib/shakef.c		diff \| blob \| history
src/mdlib/sim_util.c		diff \| blob \| history
src/mdlib/splittop.c		diff \| blob \| history
src/mdlib/splittop.h		diff \| blob \| history
src/mdlib/tables.c		diff \| blob \| history
src/mdlib/tgroup.c		diff \| blob \| history
src/mdlib/timefft.c		diff \| blob \| history
src/mdlib/update.c		diff \| blob \| history
src/mdlib/vcm.c		diff \| blob \| history
src/mdlib/wnblist.c		diff \| blob \| history
src/mdlib/wnblist.h		diff \| blob \| history
src/ngmx/Xstuff.h		diff \| blob \| history
src/ngmx/buttons.c		diff \| blob \| history
src/ngmx/buttons.h		diff \| blob \| history
src/ngmx/dialogs.c		diff \| blob \| history
src/ngmx/dialogs.h		diff \| blob \| history
src/ngmx/dlg.c		diff \| blob \| history
src/ngmx/fgrid.c		diff \| blob \| history
src/ngmx/fgrid.h		diff \| blob \| history
src/ngmx/filter.c		diff \| blob \| history
src/ngmx/gmxlogo.c		diff \| blob \| history
src/ngmx/highway.c		diff \| blob \| history
src/ngmx/logo.c		diff \| blob \| history
src/ngmx/logo.h		diff \| blob \| history
src/ngmx/manager.c		diff \| blob \| history
src/ngmx/manager.h		diff \| blob \| history
src/ngmx/molps.c		diff \| blob \| history
src/ngmx/molps.h		diff \| blob \| history
src/ngmx/nener.c		diff \| blob \| history
src/ngmx/nener.h		diff \| blob \| history
src/ngmx/ngmx.c		diff \| blob \| history
src/ngmx/nleg.c		diff \| blob \| history
src/ngmx/nleg.h		diff \| blob \| history
src/ngmx/nload.c		diff \| blob \| history
src/ngmx/nload.h		diff \| blob \| history
src/ngmx/nmol.c		diff \| blob \| history
src/ngmx/nmol.h		diff \| blob \| history
src/ngmx/popup.c		diff \| blob \| history
src/ngmx/popup.h		diff \| blob \| history
src/ngmx/pulldown.c		diff \| blob \| history
src/ngmx/pulldown.h		diff \| blob \| history
src/ngmx/scrollw.c		diff \| blob \| history
src/ngmx/showcol.c		diff \| blob \| history
src/ngmx/vbox.c		diff \| blob \| history
src/ngmx/x11.c		diff \| blob \| history
src/ngmx/x11.h		diff \| blob \| history
src/ngmx/xdlg.c		diff \| blob \| history
src/ngmx/xdlg.h		diff \| blob \| history
src/ngmx/xdlghi.c		diff \| blob \| history
src/ngmx/xdlghi.h		diff \| blob \| history
src/ngmx/xdlgitem.c		diff \| blob \| history
src/ngmx/xdlgitem.h		diff \| blob \| history
src/ngmx/xmb.c		diff \| blob \| history
src/ngmx/xmb.h		diff \| blob \| history
src/ngmx/xrama.c		diff \| blob \| history
src/ngmx/xstat.c		diff \| blob \| history
src/ngmx/xutil.c		diff \| blob \| history
src/ngmx/xutil.h		diff \| blob \| history
src/tools/addconf.c		diff \| blob \| history
src/tools/addconf.h		diff \| blob \| history
src/tools/anadih.c		diff \| blob \| history
src/tools/anadock.c		diff \| blob \| history
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