[gmx-users] Alignment algorithm
jalemkul at vt.edu
Tue Jan 30 02:16:11 CET 2018
On 1/29/18 3:46 PM, Simone Bolognini wrote:
> Hi everyone,
> I was wondering: what is the algorithm implemented by Gromacs for
> structural alignment before RMSD calculation?
It's a simple least-squares fit.
Justin A. Lemkul, Ph.D.
Virginia Tech Department of Biochemistry
303 Engel Hall
340 West Campus Dr.
Blacksburg, VA 24061
jalemkul at vt.edu | (540) 231-3129
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