[gmx-users] RMSD comparison to a different reference structure.

Natalie Stephenson natalie.stephenson at manchester.ac.uk
Mon Sep 7 10:32:21 CEST 2015


I was wondering if you would be able to advise me of the best method to compare a mutated and WT structure. I was hoping to perform RMSD analysis for certain regions within a mutation against the same region within the wild type structure. Unfortunately, the atom numbering is likely to be off for some regions, as the mutation with add/remove atoms. As only one index file is specified for the g_rms command I wondered how best to do this? Or if it was possible?


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