Re: [AMBER] Loading .mol2 file in sleap

From: r smith <rsl04f.gmail.com>
Date: Wed, 30 Mar 2011 15:30:46 -0400

Hi Ben,

Thanks for the response. I have attached the files I am using that gives
the error.

Robert
On Wed, Mar 30, 2011 at 3:16 PM, Ben Roberts <ben.roberts.geek.nz> wrote:

> Hi Rob,
>
> On 30/3/2011, at 12:19 p.m., r smith wrote:
>
> > Hi,
> >
> > Now when using the commands:
> >
> > mods = loadAmoebaParams em_ac.frcmod
> > saveAmoebaParm mol prmtop inpcrd
> >
> > I get the error:
> >
> > get typeid of -1
> > sleap: data.cpp:424: bool mort::mcmpdata_t::get_iptr(const
> mort::hashid_t&,
> > int, const int*&) const: Assertion `absid >=0 && absid < m_idcounter'
> > failed.
> > Aborted
> >
> > Any idea why saveAmoebaParm would cause this problem?
>
> I haven't ever used saveAmoebaParm myself, but if you send me through your
> files (i.e., mol2, frcmod and anything else needed), I can take a look for
> you.
>
> Cheers,
> Ben
>
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>
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Received on Wed Mar 30 2011 - 13:00:03 PDT
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