[gmx-users] peptide's COM distance to top of a slab

Mark Abraham mark.j.abraham at gmail.com
Tue Aug 2 22:35:14 CEST 2016


What's a geometric criterion that expresses "top of the slab?"


On Tue, Aug 2, 2016 at 10:22 PM Alexander Alexander <
alexanderwien2k at gmail.com> wrote:

> Dear gromacs user,
> I have peptide getting adsorbed into a solid surface, I can get the
> distance between COM of peptide and COM of the slab by below command,
> gmx distance -n index.ndx -select 'com of group Other plus com of group
> Protein' -f noPBC.xtc -s prd.tpr -oxyz disxyz.xvg -tu ns
> I was wondering if a similar command is available to get the distance
> between peptide's COM and top of the slab?
> Regards,
> Alex
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