Dear Prof.Case,
Thank you for your suggestions!
Regards,
Yan
On Tue, Jul 27, 2010 at 4:53 AM, case <case.biomaps.rutgers.edu> wrote:
> On Mon, Jul 26, 2010, Yan Gao wrote:
> >
> > I use translate command to rotate a molecule (~3300) atoms, but it comes
> > with below error. May I know what should I do? Thanks.
> >
> > The atom number exceeds the MAXATOM, reallocate memory
> > Segmentation fault (core dumped)
>
> In many cases, the antechamber suite will automatically reallocate memory
> if MAXATOM is exceeded, but this is not one of them. I'm not quite sure
> why we have a separate translate command, anyway. You could recompile the
> program, but my suggestion is to use NAB for things like rigid body
> manipulations.
>
> ....regards...dac
>
>
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--
Yan Gao
Jacobs School of Engineering
University of California, San Diego
Tel: 858-952-2308
Email: Yan.Gao.2001.gmail.com
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Received on Tue Jul 27 2010 - 09:00:08 PDT
