<div dir="ltr">David,<br><br>I looked up the euqation for the Nose-Hoover thermostat and don't understand where lambda comes from and how to use the number of degreees of freedom to determine the heat flux of a group. Could you explain some more?<br>
<br>Thanks,<br>Andy<br><br>> I have been reading through the mailing list and have read some<br>
> discussion that heat flux can be indicated by the value of lambda. Can I<br>
> calculate the amount of heat flux from the lambda value?<br>
In principle yes. Look up the equation for the temperature coupling. You<br>
will need to know the number of degrees of freedom as printed in md.log<br>
file.<br>
><br>
> Thanks,<br>
> Andy Shelley<br>
><br>
><br>
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<br>
<br>
--<br>
David.<br>
________________________________________________________________________<br>
David van der Spoel, PhD, Professor of Biology<br>
Dept. of Cell and Molecular Biology, Uppsala University.<br>
Husargatan 3, Box 596, 75124 Uppsala, Sweden<br>
phone: 46 18 471 4205 fax: 46 18 511 755<br>
<a href="mailto:spoel@xray.bmc.uu.se">spoel@xray.bmc.uu.se</a> <a href="mailto:spoel@gromacs.org">spoel@gromacs.org</a> <a href="http://folding.bmc.uu.se/" target="_blank">http://folding.bmc.uu.se</a><br>
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