Dear Francois,
Thank you
I have changed the residue number 999 to 1, and it works well
Best regards
Rui
--- On Tue, 4/13/10, FyD <fyd.q4md-forcefieldtools.org> wrote:
> From: FyD <fyd.q4md-forcefieldtools.org>
> Subject: Re: [AMBER] loadmol2 Segmentation fault
> To: amber.ambermd.org
> Date: Tuesday, April 13, 2010, 10:30 AM
> Dear Rui Li,
>
> > I am a beginner.
> > 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...
>
> 1) See the web site of Tripos:
> http://tripos.com/index.php?family=modules,SimplePage,,,&page=sup_mol2&s=0
>
> 2) Examples of mol2 files recognized by LEaP:
> http://q4md-forcefieldtools.org/Tutorial/leap.php
> http://q4md-forcefieldtools.org/Tutorial/Tutorial-1.php#15
> &
> http://q4md-forcefieldtools.org/REDDB/Projects/W-46/
> http://q4md-forcefieldtools.org/REDDB/Projects/W-46/tripos1.mol2
> ...
> http://q4md-forcefieldtools.org/REDDB/Projects/W-46/tripos10.mol2
>
> regards, Francois
>
>
>
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Received on Wed Apr 14 2010 - 00:00:02 PDT
