I have changed nothing...
However, I think I found the problem. I will post one I am sure abt it.
Manoj
On Fri, Sep 10, 2010 at 3:56 PM, Jason Swails <jason.swails.gmail.com>wrote:
> On Fri, Sep 10, 2010 at 3:55 PM, manoj singh <mks.amber.gmail.com> wrote:
>
> > Thanks for the reply.
> >
> > This was working yesterday.
> >
>
> What did you change?
>
>
> >
> > Input commands are
> >
> > source leaprc.ff99SB
> > source leaprc.GLYCAM_06
> > set default write14scale on
> > com = loadpdb PDA_crd1.pdb
> > solvateOct com TIP3PBOX 10.0
> > charge com
> > addions com Cl- 0
> > saveamberparm com pda_crd1_solvated.prmtop pda_crd1_solvated.inpcrd
> > quit
> >
> >
> >
> > On Fri, Sep 10, 2010 at 3:51 PM, Jason Swails <jason.swails.gmail.com
> > >wrote:
> >
> > > Did you apply all bugfixes and recompile? Beyond that, you'll need to
> > > provide details (i.e. exact input files, commands, and output
> produced).
> > >
> > > Good luck!
> > > Jason
> > >
> > >
> > > On Fri, Sep 10, 2010 at 3:47 PM, manoj singh <mks.amber.gmail.com>
> > wrote:
> > >
> > > > Hi,
> > > >
> > > > I am getting following error on running sleap,
> > > >
> > > > --
> > > > sleap: geometry.cpp:99: boost::numeric::ublas::vector<double,
> > > > boost::numeric::ublas::unbounded_array<double,
> std::allocator<double>>>
> > > > mort::impose(std::vector<boost::numeric::ublas::vector<double,
> > > > boost::numeric::ublas::unbounded_array<double,
> > std::allocator<double>>>,
> > > > std::allocator<boost::numeric::ublas::vector<double,
> > > > boost::numeric::ublas::unbounded_array<double,
> > > std::allocator<double>>>>>,
> > > > const std::vector<boost::numeric::ublas::vector<double,
> > > > boost::numeric::ublas::unbounded_array<double,
> > std::allocator<double>>>,
> > > > std::allocator<boost::numeric::ublas::vector<double,
> > > > boost::numeric::ublas::unbounded_array<double,
> > std::allocator<double>>>>>
> > > > &,
> > > > const boost::numeric::ublas::vector<double,
> > > > boost::numeric::ublas::unbounded_array<double,
> std::allocator<double>>>
> > > &):
> > > > Assertion `srcpos.size() > 0' failed.
> > > >
> > > > --
> > > >
> > > > I will be very thankful for the response.
> > > >
> > > > Manoj
> > > > _______________________________________________
> > > > AMBER mailing list
> > > > AMBER.ambermd.org
> > > > http://lists.ambermd.org/mailman/listinfo/amber
> > > >
> > >
> > >
> > >
> > > --
> > > Jason M. Swails
> > > Quantum Theory Project,
> > > University of Florida
> > > Ph.D. Graduate Student
> > > 352-392-4032
> > > _______________________________________________
> > > AMBER mailing list
> > > AMBER.ambermd.org
> > > http://lists.ambermd.org/mailman/listinfo/amber
> > >
> > _______________________________________________
> > AMBER mailing list
> > AMBER.ambermd.org
> > http://lists.ambermd.org/mailman/listinfo/amber
> >
>
>
>
> --
> Jason M. Swails
> Quantum Theory Project,
> University of Florida
> Ph.D. Graduate Student
> 352-392-4032
> _______________________________________________
> AMBER mailing list
> AMBER.ambermd.org
> http://lists.ambermd.org/mailman/listinfo/amber
>
_______________________________________________
AMBER mailing list
AMBER.ambermd.org
http://lists.ambermd.org/mailman/listinfo/amber
Received on Fri Sep 10 2010 - 13:30:04 PDT
