Re: AMBER: (no subject)

From: David A. Case <>
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:
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            |
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Received on Tue Jul 22 2003 - 17:53:01 PDT
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