Dear Gromacs-users,
I've a question regarding Gibbs free energy simulations. As the volume
can fluctuate in the NpT-ensemble and is an extensive quantity, I do
expect an intrinsic volume for the decoupled solute in the gas phase. Is
there any chance to display this value?
Regards,
Andreas
--
M. Sc. Andreas Mecklenfeld
Stipendiat
Technische Universität Braunschweig
Institut für Thermodynamik
Hans-Sommer-Straße 5
38106 Braunschweig
Deutschland / Germany
Tel: +49 (0)531 391-2634
Fax: +49 (0)531 391-7814
http://www.ift-bs.de
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