[gmx-users] Box dimensions variation
Yasser Almeida Hernández
yasser.almeida.hernandez at chemie.uni-hamburg.de
Wed Aug 10 17:58:54 CEST 2016
Hi Tsjerk,
Thanks! You are right. I used Pcoupltype = semiisotropic, so I should
change it to isotropic.
Cheers
Yasser
> Hi Yasser,
>
> Probably you're using semi-isotropic pressure coupling, which you should
> only do if you have a membrane like structure aligned with the XY plane (or
> a somewhat stiffish wire like structure aligned along z).
>
> Cheers,
>
> Tsjerk
--
Yasser Almeida Hernández
PhD student
Institute of Biochemistry and Molecular Biology
Department of Chemistry
University of Hamburg
Martin-Luther-King-Platz 6
20146 Hamburg
Germany
+49 40 42838 2845
yasser.almeida.hernandez at chemie.uni-hamburg.de
office: Grindelallee 117, room 250c
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