[gmx-users] ener.edr

Berk Hess gmx3 at hotmail.com
Fri Aug 13 17:11:12 CEST 2010


To be more precise, it writes both the current values and the sum over the steps
to let g_energy print exact averages.

Berk

> Date: Fri, 13 Aug 2010 11:08:24 -0400
> From: chris.neale at utoronto.ca
> To: gmx-users at gromacs.org
> Subject: [gmx-users] ener.edr
> 
> The .edr file contains the instantaneous energies at every nstenergy steps.
> 
> -- original message --
> 
> Hello,
> 
> Does gromacs write the current values (at some requested step) to
> ENER.EDR or the averaged ones (at the requested interval)?
> 
> 
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