[gmx-users] error

Dallas Warren dallas.warren at vcp.monash.edu.au
Wed Sep 8 02:05:20 CEST 2004

>  Please help me out in minimizing the system to the desired values.Usually
>what would be the values of Epotential etc in the case of DPPC membrane for
>starting MD and how can here it can be achieved by avoiding the
>error............Any help would be greatly appreciated..................

It isn't an error as such.  As the program has told you, it can't minimise 
it any further.  If you want further details, try a search on the web site 
using terms such as "Stepsize too small" and "Converged to machine 
precision".  This question comes up regularly and there have been several 
detail replies given that explain everything fully.  If I recall correctly, 
I think on of the options is to use a different EM algorithm.

Catch ya,

Dr. Dallas Warren
Research Fellow
Department of Pharmaceutical Biology and Pharmacology
Victorian College of Pharmacy, Monash University
381 Royal Parade, Parkville VIC 3010
dallas.warren at vcp.monash.edu.au
+61 3 9903 9083
When the only tool you own is a hammer, every problem begins to resemble a nail.

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