[gmx-users] RMSD calculation of protein-ligand complex

Aswathy soman aswathyneeharika at gmail.com
Fri Apr 22 11:46:46 CEST 2016

I have done a 100 ns simulation of protein-ligand complex. I was wondering
is it possible to calculate RMSD of the entire protein-ligand complex. How
to select the complex as such during the calculation of RMSD because there
is no group as protein+ligand. Thanking you in advance


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