Re: AMBER: Error message in methane solvent system

From: David A. Case <case.scripps.edu>
Date: Fri, 8 Dec 2006 08:41:49 -0800

On Fri, Dec 08, 2006, Atsutoshi Okabe wrote:

>
> SANDER BOMB in subroutine nonbond_list
> volume of ucell too big, too many subcells
> list grid memory needs to be reallocated, restart sander

The simplest thing to do (probably) is use pmemd instead of sander, if that
works for you.

Otherwise, run a short simulation (before the error), then restart sander, as
the error message suggests.

....dac

-----------------------------------------------------------------------
The AMBER Mail Reflector
To post, send mail to amber.scripps.edu
To unsubscribe, send "unsubscribe amber" to majordomo.scripps.edu
Received on Fri Dec 08 2006 - 16:53:37 PST
Custom Search