[gmx-users] Box is exploding!

[David van der Spoel]

Absalom Zamorano wrote:
> Hi gromacs people, Im unfolding a protein over 525K, but simulation is 
> stoped and in the log file appears "WARNING: your box is exploding!", 
> has someone idea about it?, Are there some parameter to modify? I will 
> appreciate very much your help.

Due to temperature the system starts cooking. You can turn off pressure 
coupling but then you are simulating at high pressure.

> Thanks for advance.
> 
> 
> */Dr. Absalom Zamorano Carrillo
> Profesor Titular A
> Programa Institucional de Biomedicina Molecular, ENMyH-IPN/*
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-- 
David.
________________________________________________________________________
David van der Spoel, PhD, Assoc. Prof., Molecular Biophysics group,
Dept. of Cell and Molecular Biology, Uppsala University.
Husargatan 3, Box 596,  	75124 Uppsala, Sweden
phone:	46 18 471 4205		fax: 46 18 511 755
spoel at xray.bmc.uu.se	spoel at gromacs.org   http://folding.bmc.uu.se
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