[gmx-users] basic question about code

[Nuno R. L. Ferreira]

Luciano wrote:
[..snip...]
> 
> Steepest Descents did not converge in 663 steps
>   Potential Energy  =  1.05729e+06
> Maximum force:  3.07947e+04"
> 

As David said, something wrong with your system, probably the starting 
structure of the protein. Is it a pdb constructed, or downloaded from a 
PDB web pool?
Try to EM in vacuo and see what it happens.

Até,
Nuno