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
> at the output time step or an average one between output steps?
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