Thanks for the reply.
This was working yesterday.
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
>
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Received on Fri Sep 10 2010 - 13:00:09 PDT
