[gmx-users] Membrane simulation npt problem

[Marco Franzoi]

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