[gmx-users] Box size for decoupled molecule in NpT ensemble

[Andreas Mecklenfeld]

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
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