[gmx-users] Different RMSD plots when either *.gro or *.tpr files are used

[Billy Williams-Noonan]

The *.gro is just one frame, yeah?

Kind regards,

Billy

On 28 November 2016 at 08:10, Dawid das <addiw7 at googlemail.com> wrote:

> Dear Gromacs Experts,
>
> I have created two RMSD plots of my protein. For one, as a reference
> structure source,
> I have used file.gro and in the other a file.tpr, both from previous
> calculations. I have obtained
> slightly different values and i.e. plots. Is that because my reference
> structures where different
> or because of different numerical accuracy provided by file.gro and
> file.tpr?
>
> Best regards,
>
> Dawid Grabarek
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