AMBER Archive (2003)

Subject: Re: AMBER: (no subject)

From: David A. Case (case_at_scripps.edu)
Date: Tue Jul 22 2003 - 11:30:00 CDT

On Tue, Jul 22, 2003, ENikitina wrote:
>
> I'm running free energy calculations in Sander (TI), my system is fully
> optimized.
> But I have the error in the middle of run:
>
> EWALD BOMB in subroutine ewald_list
> volume of ucell too big, too many subcells
> list grid memory needs to be reallocated, restart sander

Please see bugfix.38 at the Amber web site, especially if this is a smallish
system. If that doesn't help, we will need more information.

..good luck...dac 

-- 

==================================================================
David A. Case                     |  e-mail:      case_at_scripps.edu
Dept. of Molecular Biology, TPC15 |  fax:          +1-858-784-8896
The Scripps Research Institute    |  phone:        +1-858-784-9768
10550 N. Torrey Pines Rd.         |  home page:                   
La Jolla CA 92037  USA            |    http://www.scripps.edu/case
==================================================================
-----------------------------------------------------------------------
The AMBER Mail Reflector
To post, send mail to amber_at_scripps.edu
To unsubscribe, send "unsubscribe amber" to majordomo_at_scripps.edu