Ewald bomb ?

From: Terreux Raphael <terreux_at_taloa.unice.fr>
Date: Tue 12 Sep 2000 15:51:01 -0700

Dear Amber user,

When i do some MD (amber 5 or 6) with PME, sometime a have a error :
-------------------------------
EWALD BOMB in subroutine ewald_list
  volume of ucell too big!!
 a regular restart should fix things
-------------------------------
I use amber 5 or 6 on a SGI (R10.000 irix 6.2 or 6.5) with one CPU.

Does it possible to solve this problem ? ;ay be with a bugfixe ?
Thanks for your help.

Regards.

Raphael terreux 


--
-------------------------------------------------------
TERREUX Raphael
Laboratoire A.S.I Equipe Chimiometrie Modelisation
Universite de Nice-Sophia Antipolis,
Parc Valrose, F 06108, Cedex 2,
NICE, FRANCE
TEL : +33 (0)4 92 07 61 26
FAX : +33 (0)4 92 07 61 25
e-mail : terreux_at_chiminfo.unice.fr
         terreux_at_unice.fr
web    : http://chiminfo11.unice.fr/~terreux/index.htm
-------------------------------------------------------
Received on Tue Sep 12 2000 - 15:51:01 PDT
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