AMBER Archive (2004)

Subject: AMBER: Amber:how to increase the memory allocation?

From: Helios (
Date: Wed Sep 08 2004 - 22:35:14 CDT

Dear all, When I run anal progran, it stop suddenly and give a message as follows: Number of NB Res pairs =12457536 exceeds max = 578330. It maybe depend on the Interger memory allocated as describe in the output file of anal have:


| New format PARM file being parsed.
| Version = 1.000 Date = 03/24/04 Time = 13:09:04

     Memory Use Allocated Used
     Real 500000 298783
     Integer 800000 221670 (static)

     Max Nonbonded Pairs: 578330 packed 1 to a machine word

Could anybody tell me how to increase the Memory of Integer (800000) or Real (500000) allocation?

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