[gmx-users] Possibility to keep molecules during MD at a certain distance

[Ebert Maximilian]

Hi list,

I am trying to enforce a minimum pair distance of certain molecules in my MD using a network of repulsive half-harmonic distance-restraining potentials with a specific force constant. How would I do that? Is it the [ bonds ] type 6 option? If so do I have to write a bond for each molecule with each molecule?

Thanks for the help