[gmx-users] Ligand observables in a protein-ligand simulation

[Mark Abraham]

The same way you'd do it for a protein, but with a suitable group.

Mark
On Apr 15, 2014 11:55 AM, "MUSYOKA THOMMAS" <mutemibiochemistry at gmail.com>
wrote:

> Dear Users,
> How can one determine a ligand's rmsd, its radius of gyration, and its SASA
> during a protein-ligand simulation?
>
> Thank you
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