[gmx-users] Mdrun problems

[Anton Feenstra]

Farid Sa'Adedin wrote:

> Dear GROMACS users,
> 
> I have encountered a problem when I try to energy minimise a bilayer that I
> created.  When I ran it on grompp no errors were detected.  But when I did
> mdrun -v
> 
> The simulation starts to run but then after a few steps it brings this error
> message:
> 
> Stepwise too small (6.10352e-07nm) Converged to the machine precision, but not
> to the requested position (1000)
> 
> Steepest descent did not converge in 15 steps
> 
> Potential Energy = nan
> Maximum Force 1.28603e+7
> 
> I have tried changing various options on the mdp file but to no avail.
> 
> If anyone knows what I can do to rectify the situation it would be most
> appreciated.

Check your input structure, there are defenitely things wrong there, or 
it could be your topology.


-- 
Groetjes,

Anton

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|  _   _  ___,| K. Anton Feenstra                                     |
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