Seems something http://www.gromacs.org/Documentation/Terminology/Blowing_Up,
probably because there is something nonsensical about your starting
configuration. Try to simplify things, visualize the configuration, don't
ignore warnings.
Mark
On Sat, Jun 8, 2013 at 7:10 AM, maggin wrote:
> when
when I first run enery minimization in vacuum, then add water model,
(I use GROMOS96 53a6 force field, and spce water model)
EM in water model:
Steepest Descents:
Tolerance (Fmax) = 1.0e+03
Number of steps= 2000
Step=0, Dmax= 5.0e-03 nm, Epot= -3.51690e+05 Fmax= 2.16
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