[gmx-users] .mdp file for calculating surface tension of water

Rana Ali ranadeepu2017 at gmail.com
Wed Jun 20 08:25:06 CEST 2018


Dear David Sir
Thanks a lot for your help

Sincerely
Rana

On Tue, Jun 19, 2018 at 7:18 PM, David van der Spoel <spoel at xray.bmc.uu.se>
wrote:

> Den 2018-06-19 kl. 14:52, skrev Rana Ali:
>
>> Dear expert users
>> It will be of great help if somebody share the .mdp file for calculating
>> the surface tension of  water
>> using NVT ensemble
>>
>> Thank in advance
>>
>> Regards
>>
>> Rana
>>
>> Check: http://virtualchemistry.org/ff.php
>
> --
> David van der Spoel, Ph.D., Professor of Biology
> Head of Department, Cell & Molecular Biology, Uppsala University.
> Box 596, SE-75124 Uppsala, Sweden. Phone: +46184714205.
> http://www.icm.uu.se
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