[gmx-users] equilibration of the simulated systems

Francesco fracarb at myopera.com
Tue May 7 21:06:07 CEST 2013

you can use g_energy to plot what you need (T, density or whatever) and
decide if it is acceptable or not.
In the latter case you simply have to extend your run (see



On Tue, 7 May 2013, at 06:58 PM, Za Pour wrote:
>  Dear gmx users
> would you please tell me how I can be sure that my simulation time is
> long
> enough? is it appropriate way to use g_energy program and calculate total
> energy ?
>  thank you
> -- 
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  fracarb at myopera.com

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