[gmx-users] Heat Flux and Lambda

[David van der Spoel]

Andy Shelley wrote:
> I have been reading through the mailing list and have read some 
> discussion that heat flux can be indicated by the value of lambda. Can I 
> calculate the amount of heat flux from the lambda value?
In principle yes. Look up the equation for the temperature coupling. You 
will need to know the number of degrees of freedom as printed in md.log 
file.
> 
> Thanks,
> Andy Shelley
> 
> 
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-- 
David.
________________________________________________________________________
David van der Spoel, PhD, Professor of Biology
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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