[gmx-users] Script for measurung and exporting distances between residues in VMD or Pymol from a gromacs simulation

[Faulkner, Matthew]

Hi all,

Does anybody have a script, or reference where this has been done, for measuring distances between two residues in each time step of a simulation and exporting this data into a handy format like a text or csv file?

I want to measure the distances over time between the nearest atoms of some residues that appear to have a conformation change but at the moment I only know how to do this manually.

Regards,
Matthew Faulkner.