[gmx-users] choose the reference structure of Gromacs

Mark Abraham mark.j.abraham at gmail.com
Sat Jan 18 18:30:21 CET 2014


Hi,

See g_rms -h first ;-)

Mark


On Sat, Jan 18, 2014 at 3:17 PM, Ahmet yıldırım <ahmedo047 at gmail.com> wrote:

> Dear users,
>
> How do Gromacs choose the reference structure for the fit the trajectory?
> For example:
> g_rms -f traj.xtc -s topol.tpr
>
> The reference structure is first frame (-dump 0:closest to the first frame)
> of the trajectory for above command?
>
> --
> Ahmet Yıldırım
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