[gmx-users] basic question about code

Nuno R. L. Ferreira nunolf at ci.uc.pt
Tue Nov 11 23:02:01 CET 2003

Luciano wrote:
> 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.


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