Hi,
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
: gromacs.org_gmx-users-boun...@maillist.sys.kth.se
[gromacs.org_gmx-users-boun...@maillist.sys.kth.se] on behalf of Erik Marklund
[erik.markl...@chem.ox.ac.uk]
Sent: 07 September 2015 11:42
To: gmx-us...@gromacs.org
Subject: Re: [gmx-users] RMSD comparison to a different reference structure.
Hi,
How
Hi,
How about comparing only C-alphas? As long as you have the same number of
residues, that should work. You need to make reduced versions of your tpr and
trajectory files.
Kind regards,
Erik
Erik Marklund, PhD
Postdoctoral Research Fellow
Fulford JRF, Somerville College
Department of
