On 2010-12-09 09.20, gromacs wrote:
Hi, experts,
I'd like to calculate the surface tension at water-air interface using
Gromacs.
which ensemble should i choose?
when i run simulation, .mdp how can i select p-coupling?
whether should i use p-coupling?
what do you think will happen when you use P coupling?
You may have a look in in
http://pubs.acs.org/cgi-bin/download.pl?la053284f/X8nx
I can creat a air-water-air structure (.gro)
Thanks?
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David van der Spoel, Ph.D., Professor of Biology
Dept. of Cell & Molec. Biol., Uppsala University.
Box 596, 75124 Uppsala, Sweden. Phone: +46184714205.
sp...@xray.bmc.uu.se http://folding.bmc.uu.se
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