[gmx-users] Residue numbering in Gromacs and VMD

Pandya, Akash akash.pandya.15 at ucl.ac.uk
Thu Feb 28 16:53:43 CET 2019

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?


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