[gmx-users] Re: More accurate potential energy in output?

Markus Kaukonen markus.kaukonen at iki.fi
Thu Jul 12 16:11:25 CEST 2012

>g_energy -dp IIRC.
>g_energy -h is your friend. By the way in single precision you have 7-8 digits only.

Unfortunately it seems that the X.edr file only contains 6 digits (if
mdrun was done with single precision).
So g_energy -f X.edr -dp gives me only 6 digits.

To wish list: X.edr file should contain as many digits as possible.

Terveisin, Markus

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