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

Ebert Maximilian m.ebert at umontreal.ca
Fri Oct 2 22:51:15 CEST 2015

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

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