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.
[email protected] [email protected] http://folding.bmc.uu.se
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