[gmx-users] nstenergy

Erik Lindahl lindahl at csb.stanford.edu
Fri Dec 5 22:08:01 CET 2003


Both, actually. The energy values you see when you plot it in xmgrace 
are the instantaneous ones, but the statistics (average, RMSD, drift, 
etc.) presented when you run g_energy is the true value values based on 
every single step.



On Dec 5, 2003, at 1:04 PM, Lianqing Zheng wrote:

> Dear GMX pals:
> A simple question: Does the energy output file record the instant 
> energy
> at the output time step or an average one between output steps?
> Thanks.
> Lianqing
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