[gmx-users] short peptide adsorption to a solid surface

Alexander Alexander alexanderwien2k at gmail.com
Mon Aug 1 12:48:59 CEST 2016

Dear gromacs user,

I am study the adsorption of a short peptide into a solid surface, I have
the outputs of a long MD simulation in which I see the peptide come to the
surface and lie down on the surface, would you please suggest me some
available tools in gromacs which I can take benefit in order to to study
such an adsorption, for example to unveil the behavior and role of each
residue in this adsorption, the C and N terminals ... .
I have already used "gmx pairdist" to see the distance of each residue to
the surface, what informative tools else  you would do, please?


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