[gmx-users] g_energy -vis Question, Bug #1516

Mark Abraham mark.j.abraham at gmail.com
Wed Sep 17 09:55:20 CEST 2014


On Tue, Sep 16, 2014 at 10:23 PM, Cantu, David <David.Cantu at pnnl.gov> wrote:

> Dear Gromacs users and developers.
>
> I have a question about calculating viscosities with the –vis of g_energy,
> and big fix #1516 that was included in version 4.6.6.
>
> Was bug fix #1516 on g_energy only?


Yes


> Or was it also on mdrun and how the ener.edr file is made?
>

No


> What I need to know is if I can use g_energy from Gromacs 4.6.6 to analyze
> trajectories made with previous version of Gromacs. Specifically, I have
> many trajectories made using Gromacs 4.6.5. Can I take the ener.edr files
> created with 4.6.5, and use the –vis option correctly with g_energy of
> 4.6.6?
>

Yes

Mark


> Thank you,
> David
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