Hi, I have a system of 3600 LJ particles in a plane (using freeze-dimension option in z). I am running npt runs using Semi-isotropic pressure coupling with Parrinello-Rahman barostat. I have a few concerns:
1) On the gromacs website, a webpage mentions that this type of pressure coupling may not be accurate 2) It takes a really long time for the system to reach the reference pressure > 500ns. Particularly the Pxx, Pyy terms are very different and take an extremely long time to converge to a common value. Pooja -- Quaerendo Invenietis-Seek and you shall discover.
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