AMBER Archive (2003)

Subject: very important

From: Shafinaz (shafinaz_at_BRI.NRC.CA)
Date: Tue Apr 08 2003 - 09:19:18 CDT

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_at_bri.nrc.ca
Tel: 514 496 6338
Fax: 514 496 5174