[gmx-developers] Changes to the manual

hessb at mpip-mainz.mpg.de hessb at mpip-mainz.mpg.de
Fri Jan 30 09:22:33 CET 2009


These free-energy functional froms and derivatives are correct
in the code.
The free-energy part of the manual orginally contained several
incorrect formulas. I have fixed a few over time, but apparently
I did not notice these two.


> Hello everybody,
> I've made some changes to the Gromacs manual: some style-related, such
> as changing 'cutoff' to the O.E.D. correct 'cut-off', but I've also
> made a few changes to the free energy section of the force field
> chapter. I've clarified a few things about soft-core interactions, but
> also fixed some 'issues' with equations 4.106 and 4.108 (these are
> 4.105 and 4.107 in the 4.0.0 manual, respectively), that appeared to
> be just wrong. I hope they're not wrong in the code :-)
> Sander
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