Re: [AMBER] Loading .mol2 file in sleap

From: Ben Roberts <ben.roberts.geek.nz>
Date: Wed, 30 Mar 2011 15:16:20 -0400

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

-- 
For greater security, I support S/MIME encryption.





_______________________________________________
AMBER mailing list
AMBER.ambermd.org
http://lists.ambermd.org/mailman/listinfo/amber


Received on Wed Mar 30 2011 - 12:30:03 PDT
Custom Search