[gmx-users] Heat of vaporization in gromacs

David van der Spoel spoel at xray.bmc.uu.se
Thu Dec 3 16:15:38 CET 2009

Vitaly V. Chaban wrote:
> Hi,
> Please let me know which of the gromacs utilities is responsible for
> heat of vaporization calculation.
> Thanks in advance,
> Vitaly
g_energy and you. you need liquid and gas phase simulations.

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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