[gmx-developers] TI and PMe in GROMACS

Berk Hess hessb at mpip-mainz.mpg.de
Tue Feb 15 17:45:04 CET 2005

Martin Lepsik wrote:

> Dear Berk and Florian,
> thank you for your advice.
> As far as I could find (manual of GMX 3.2), only FEP slow growth is 
> described. Where do I find thermodynamic integration? Do I get manual 
> for ver. 3.3 via CVS? How is it done? (Sorry for this stupid question.)
Sorry, but then I don't understand what you mean with TI.
Could you explain it in more detail?


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