[gmx-users] Error in Energy Minimization

[Tsjerk Wassenaar]

Hi George,

You didn't mention whether this was with or without solvent. This is
probably due to an error in your starting structure, and I advice to
check it carefully. Also, if you're running in solvent, check your
box.

> Step=   57, Dmax= 4.3e-03 nm, Epot= -1.79963e+23 Fmax=         inf, atom= 2

The only thing I don't really get is this potential energy. Can you
give more details about your system? Type of molecules, size, etc?

Cheers,

Tsjerk

-- 
Tsjerk A. Wassenaar, Ph.D.
Junior UD (post-doc)
Biomolecular NMR, Bijvoet Center
Utrecht University
Padualaan 8
3584 CH Utrecht
The Netherlands
P: +31-30-2539931
F: +31-30-2537623