[gmx-users] Fwd: Evaporation Free Energy
nasiri1355 at gmail.com
Thu Jan 10 17:39:16 CET 2013
Dear GMX users,
I just wanted to know that it's possible one estimates Gibbs free
energy of evaporation via following the solvation free energy scheme (TI)?
I'm trying to obtain evaporation rate with using the value of G(evap.)
for different hydrocarbon molecules at different temperatures.
Any advice would be highly appreciated!
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