Hi,
You need to check sizes.h in your sander source directory and look
for MAXINT. Give it a larger number and recompile your sander. Your
water box is kind of small though.
Cheers,
cuigl
On Tue, 8 Apr 2003, Shafinaz wrote:
> Hi
>
> I have encounter a problem with AMBER7.
> My complex contain almost 22000 atoms including 2 A water box. When I tried
> to run SANDER I got the following message.
>
> Static Integer Memory requirement of: 3292602 exceeds MAXINT of 2000000
>
> | Memory Use Allocated Used
> | Real 2000000 1695596
> | Hollerith 400000 133905
> | Integer 2000000 3292602
>
> | Max Nonbonded Pairs: 5400000
> ** Redimension and recompile
>
> Could you please help me how to solve this problem.
>
> I am eagerly waiting for your reply.
> Please reply soon.
>
> Thanks.
>
>
> Shafinaz F. Chowdhury, PhD
> Research Associate,
> Computational Chemistry,
> Biotechnology Research Institute,
> National Research Council of Canada.
> Email: shafinaz.bri.nrc.ca
> Tel: 514 496 6338
> Fax: 514 496 5174
>
>
>
--
Guanglei Cui
Dept. of Chemistry
SUNY at Stony Brook
Stony Brook, NY 11790
Received on Tue Apr 08 2003 - 15:53:02 PDT
