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
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Received on Fri Sep 10 2010 - 13:00:10 PDT
