[gmx-developers] Simulation box

Mark Abraham mark.j.abraham at gmail.com
Sun Apr 9 18:28:26 CEST 2017


This is a common and supported use. Please check out the documentation of
the pressure coupling options, and ask only questions about GROMACS
development on this list :-)


On Sun, 9 Apr 2017 17:20 Sohaib. Mohammed <sohaibmohammed10 at gmail.com>

> Dear all,
> I need to perform a NPT ensemble. I need to fix X and Y dimensions for a
> certain values and let only Z dimension flexible during NPT.
> appreciate any ideas on how to do it.
> Thank you
> --
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