[gmx-users] liquid vapour

David van der Spoel spoel at xray.bmc.uu.se
Thu Jan 29 22:11:10 CET 2009

avinash kumar wrote:
> Hello all,
> I am working on liquid vapour interfaces. How do I determine which atom 
> is in vapour state and which one in liquid. What thermodynamics property 
> will tell me that? Thank you.
You can try using g_clustsize.
 From the pure liquid you can compute enthalpy of vaporization.
> -- 
> Avinash Kumar.
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David van der Spoel, Ph.D., Professor of Biology
Molec. Biophys. group, Dept. of Cell & Molec. Biol., Uppsala University.
Box 596, 75124 Uppsala, Sweden. Phone:	+46184714205. Fax: +4618511755.
spoel at xray.bmc.uu.se	spoel at gromacs.org   http://folding.bmc.uu.se

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