Re: [gmx-users] amino acid on solid surface

Hi, Why aren't you looking at distance between surface and adsorbant as a criterion? Mark On Wed, Jun 22, 2016 at 11:24 AM Alexander Alexander < alexanderwie...@gmail.com> wrote: > Dear Gromacs user, > > I am simulating the adsorption behavior of single amino acid or a short > peptide into a

[gmx-users] amino acid on solid surface

Dear Gromacs user, I am simulating the adsorption behavior of single amino acid or a short peptide into a solid surface in water, after all the minimisation, equlibrsation, and production, how should I find out if the amino acid has been absorbed? Does RMSD help? I calculated the RMSD for amino