Dear Scott,
Sorry, I don't know how to get the compiler version.
I use the Amber from a remote agent.
Best regards
Rui
--- On Wed, 4/14/10, Scott Brozell <sbrozell.rci.rutgers.edu> wrote:
> From: Scott Brozell <sbrozell.rci.rutgers.edu>
> Subject: Re: [AMBER] loadmol2 Segmentation fault
> To: "Rui Li" <ruilisdu.yahoo.com>
> Cc: "AMBER Mailing List" <amber.ambermd.org>
> Date: Wednesday, April 14, 2010, 7:07 PM
> 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 Thu Apr 15 2010 - 00:00:06 PDT
