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

**URL:** <https://gromacs.bioexcel.eu/t/my-system-blows-up-in-parrinello-rahman-barostat-but-not-in-berendsen/1747>\
**Category:** User discussions\
**Tags:** mdp-parameters\
**Created:** [March 15, 2021, 1:33am UTC](https://gromacs.bioexcel.eu/t/my-system-blows-up-in-parrinello-rahman-barostat-but-not-in-berendsen/1747 "2021-03-15T01:33:51Z")\
**Posts on this page:** 1\
**Showing post:** 2

<div class="post-metadata">

**Author:** ![alevilla](https://dub1.discourse-cdn.com/flex017/user_avatar/gromacs.bioexcel.eu/alevilla/32/439_2.png) [@alevilla](https://gromacs.bioexcel.eu/u/alevilla)\
**Post date:** [March 16, 2021, 10:31am UTC](https://gromacs.bioexcel.eu/t/my-system-blows-up-in-parrinello-rahman-barostat-but-not-in-berendsen/1747/2 "2021-03-16T10:31:17Z")

</div>

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](https://manual.gromacs.org/current/reference-manual/algorithms/molecular-dynamics.html#pressure-coupling)

This post may also be of interests

> [@Choice of thermostat during production MD: Nosé-Hoover vs. V-Rescale](https://gromacs.bioexcel.eu/t/choice-of-thermostat-during-production-md-nose-hoover-vs-v-rescale/1420):
>
> 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

---

_[View the full topic](https://gromacs.bioexcel.eu/t/my-system-blows-up-in-parrinello-rahman-barostat-but-not-in-berendsen/1747)._
