[gmx-users] g_energy

[Justin A. Lemkul]

Juliette N. wrote:
> Hello all,
> 
> I have a quick question about extracting energy values from g_energy. I 
> used an old trajectory to extend my simulation from 1 ns to 5 ns. Energy 
> values from extended run do not take into account values of the first 1 
> ns. Is there any way to combine energies of these two runs? or I should 
> take the average of desired observables by hand?

Use eneconv to concatenate the .edr files.

-Justin

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Justin A. Lemkul
Ph.D. Candidate
ICTAS Doctoral Scholar
MILES-IGERT Trainee
Department of Biochemistry
Virginia Tech
Blacksburg, VA
jalemkul[at]vt.edu | (540) 231-9080
http://www.bevanlab.biochem.vt.edu/Pages/Personal/justin

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