[gmx-users] Residue numbering in Gromacs and VMD

Mark Abraham mark.j.abraham at gmail.com
Thu Feb 28 17:59:20 CET 2019


Sure! Try the search box on
http://manual.gromacs.org/documentation/current/index.html for "renumber
residues" for some suggestions.


On Thu, 28 Feb 2019 at 07:54 Pandya, Akash <akash.pandya.15 at ucl.ac.uk>

> Hi all,
> I have run my simulations and want to carry out analysis on my
> trajectories using VMD and gromacs. When I analyse my trajectories (.gro
> format) in VMD, the resid for my ligand differs to gromacs. I know this may
> be expected, but is there a way to keep the numbering consistent between
> the two either by running a script or another way?
> Akash
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