[gmx-users] Membrane simulation npt problem

[VITALY V. CHABAN]

The problem is outside your parameter file.





On Fri, Jan 15, 2016 at 3:56 PM, Marco Franzoi <marco.franzoi89 at gmail.com>
wrote:

> Good evening to everyone.
>
> I've an issue regarding a membrane simulation.
> I've downloaded an already equilibrated POPE/POPG membrane and, to test the
> system, I run an em, a 0.1 ns nvt and 1 ns npt simulation and everything
> was fine.
>
> Then, I've raised the cell lenght in the z direction and added a peptide,
> solvate, ionized and minimized. The next ntv step was also fine but, when I
> run the npt simulation, suddenly the cell broadens in xy directions and
> shrinks in z direction.
>
> What can be wrong with it?
>
> My npt.mpd file is attached.
>
> Thanks for your help!
>
> Marco FRANZOI
> PhD Student
> University of Padua
> Department of biology, V floor South
> Tel: 3405086908
> Mail: marco.franzoi89 at gmail.com
>
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