[gmx-developers] Fluctuations printed by mdrun

Berk Hess hess at cbr.su.se
Mon Nov 29 12:47:34 CET 2010

I removed it because it requires storing more history over the whole
system in checkpoint files.
g_energy will print this for you.


On 11/29/2010 12:03 PM, Christian Mötzing wrote:
> Hi,
> in version 4.0.x mdrun printed the fluctuations of a simulation (I am
> doing a waterbox simulation) to the log file.
> In version 4.5.x this output is gone and I can't find a way to turn it
> on again.
> How do I get this kind of output in 4.5.x?
> Thx
> Christian

More information about the gromacs.org_gmx-developers mailing list