Re: AMBER: (no subject)

From: David A. Case <case.scripps.edu>
Date: Tue, 22 Jul 2003 09:30:00 -0700

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.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.scripps.edu
To unsubscribe, send "unsubscribe amber" to majordomo.scripps.edu
Received on Tue Jul 22 2003 - 17:53:01 PDT
Custom Search