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
_______________________________________________
AMBER mailing list
AMBER.ambermd.org
http://lists.ambermd.org/mailman/listinfo/amber
Received on Tue Jul 27 2010 - 05:00:05 PDT
