VMD-L Mailing List

From: Patrick Charchar (patrick.charchar_at_rmit.edu.au)
Date: Tue May 07 2019 - 17:54:41 CDT

Hi all,

Is anyone aware if an atom order parameter been implemented for the "measure rmsd" command, or if there is a workaround for trajectories that does not involve manually reordering atoms in the file?

Perhaps there is a way to get the RMSD directly from "measure fit"?

Previous related posts:
http://www.ks.uiuc.edu/Research/vmd/mailing_list/vmd-l/10201.html
https://www.ks.uiuc.edu/Research/vmd/mailing_list/vmd-l/17002.html

Thanks,
Patrick