My system blows up in Parrinello-Rahman barostat but not in Berendsen

[alevilla]

Hi,
What about Parrinello-Rahman barostat and V-rescale thermostat? Or you can try also stochastic cell rescaling (as barostat). “The stochastic cell rescaling algorithm is a variant of the Berendsen algorithm that allows correct fluctuations to be sampled.”
https://manual.gromacs.org/current/reference-manual/algorithms/molecular-dynamics.html#pressure-coupling

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Choice of thermostat during production MD: Nosé-Hoover vs. V-Rescale

GROMACS version: 2020.4 GROMACS modification: No Dear GROMACS User Forum, Is the combination of Nosé-Hoover thermostat / Parrinello-Rahman barostat preferable over the combination of V-Rescale thermostat / Parrinello-Rahman barostat, during production MD? Do you have any suggestions on how I should proceed if my system is stable with V-Rescale / Parrinello-Rahman, but not with Nosé-Hoover / Parrinello-Rahman? Thank you so much for any comments! Happy New Year & Best Regards, Stefan

Best regards
Alessandra