Hi Rui,
Please respond to Professor Case's questions for debugging purposes:
> What OS and compiler are you using? Which version of AmberTools?
thanks,
Scott
On Tue, Apr 13, 2010 at 08:16:28AM -0400, case wrote:
> On Tue, Apr 13, 2010, Rui Li wrote:
> >
> > > SUS = loadmol2 sustiva.mol2
> > Loading Mol2 file: ./sustiva.mol2
> > Reading MOLECULE named SUS
> > tleap: line 8: 30878 Segmentation fault /package/chem/amber10/exe/teLeap -I/package/chem/amber10/dat/leap/prep -I/package/chem/amber10/dat/leap/lib -I/package/chem/amber10/dat/leap/parm -I/package/chem/amber10/dat/leap/cmd $*
>
> Works fine for me. What OS and compiler are you using? Which version of
> AmberTools?
On Tue, Apr 13, 2010 at 11:30:20PM -0700, Rui Li wrote:
> Dear Francois,
> Thank you
> I have changed the residue number 999 to 1, and it works well
>
> --- On Tue, 4/13/10, FyD <fyd.q4md-forcefieldtools.org> wrote:
>
> > From: FyD <fyd.q4md-forcefieldtools.org>
> >
> > > When I using loadmol2 to load the unit (TUTORIAL B4),
> > I get this error message:
> > >> SUS = loadmol2 sustiva.mol2
> > > Loading Mol2 file: ./sustiva.mol2
> > > Reading MOLECULE named SUS
> > > tleap: line 8: 30878 Segmentation fault
> >
> > /package/chem/amber10/exe/teLeap -I/package/chem/amber10/dat/leap/prep -I/package/chem/amber10/dat/leap/lib -I/package/chem/amber10/dat/leap/parm -I/package/chem/amber10/dat/leap/cmd
> > $*
> > >
> > > Do you know what is wrong and how to solve it?
> >
> > I wonder if the format of the mol2 file you load in LEaP is
> > correct:
> > This 999 residue number seems suspicious...
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Received on Wed Apr 14 2010 - 12:30:02 PDT
