[gmx-users] Analysis of protein protein interaction

James Starlight jmsstarlight at gmail.com
Mon May 9 12:09:50 CEST 2016

Dear Gromacs users!

I am in charge with the analysis of protein-protein assosiation during
several independent md sims calculated for the same system. I would
like interesting to calculate
1* contact maps to get insight about residues important for the assosiation

2* electrostatic surface- as the dynamical property of the receptor
system - to understand whether any differences in it - seen on
different trajectories which helps me make conclusions regarding
importance of the electrostatic forces in my system in general.

Thanks so much for any help with the realization of those steps as
well as for any extra advises!


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