[gmx-users] ener.edr & -[no]aver
vvchaban at gmail.com
Fri Aug 13 18:17:07 CEST 2010
Also, is anybody aware of what the following option of g_energy performs:
-[no]aver bool yes Print also the X1,t and sigma1,t, only if
only 1 energy is requested
If I compare the results of 'g_energy' and 'g_energy -aver', the
numbers are the same. Does it mean that g_energy print the averaged
values (between nstenergy steps) by default?
On Fri, Aug 13, 2010 at 6:35 PM, Vitaly Chaban <vvchaban at gmail.com> wrote:
> Berk, if I need the average values between 0...N, N...2N, etc - what
> is the convenient way to get them automatically (in energy.xvg)?
> Thank you,
>>To be more precise, it writes both the current values and >the sum over the steps
>>to let g_energy print exact averages.
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