[gmx-users] Strange error

[Raj Badhan]

In reply to my own posting, I came across this error whilst solvating 
a protein box containing solvent and 2 ligand:


Fatal error: realloc for nl->iinr (40509752 bytes, file 
C:\source\gromacs-3.1.
src\mdlib\ns.c, line 97, nl->iinr=0x0x       0): No such file or 
directory

However, I tried this without the ligands and it worked fine, I was 
able to solvate the box. But with the ligands (ATP) this error 
appears.
LIgands were added via Drug-Enzyme tutorial.
And it seems the program tried to access over 2.5 GB worth of 
memory before it halts.
Any ideas why?
Many thanks

Raj Badhan
Postgraduate researcher
School of Pharmacy and Pharmacetical Science
The University of Manchester
Manchester, UK.