AMBER Archive (2007)

Subject: RE: AMBER: Sander Error

From: Ross Walker (ross_at_rosswalker.co.uk)
Date: Fri Jun 29 2007 - 10:40:08 CDT

Your system likely exploded.

> -----Original Message-----
> From: owner-amber_at_scripps.edu
> [mailto:owner-amber_at_scripps.edu] On Behalf Of Colby C
> Sent: Friday, June 29, 2007 07:47
> To: amber_at_scripps.edu
> Subject: AMBER: Sander Error
>
> Frac coord min, max: -2.0586063485058166E+7 2.058606450492667E+7
> The system has extended beyond
> the extent of the virtual box.
> Restarting sander will recalculate
> a new virtual box with 30 Angstroms
> extra on each side, if there is a
> restart file for this configuration.
> SANDER BOMB in subroutine Routine: map_coords (ew_force.f)
> Atom out of bounds. If a restart has been written,
> restarting should resolve the error
> --------------------------------------------------------------
> ---------
> The AMBER Mail Reflector
> To post, send mail to amber_at_scripps.edu
> To unsubscribe, send "unsubscribe amber" to majordomo_at_scripps.edu
>

-----------------------------------------------------------------------
The AMBER Mail Reflector
To post, send mail to amber_at_scripps.edu
To unsubscribe, send "unsubscribe amber" to majordomo_at_scripps.edu