[gmx-users] water-air interface surface tension

[vinothkumar mohanakrishnan]

Hi David

Can you tell me which journal, volume and page number. I am not able to
acess the link you have given. any help is highly appreciated

Regards
Vinoth

2010/12/9 David van der Spoel <spoel at xray.bmc.uu.se>

> 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.
> spoel at xray.bmc.uu.se    http://folding.bmc.uu.se
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