[gmx-users] Turning off electrostatic between molecules

[Tam, Benjamin]

Dear All,

I am thinking of a way to simulate a porous system where the gases are very diluted. I would like to add more molecules into the system in order to increase the statistic but would like to turn off molecules - molecules electrostatic interaction. I understand there are ways to turn off the Lennard Jones through [Non-bonded param] but how do you do it with charges? I still would like the gas molecules to interact with the surrounding crystal structure. Thank you very much.

Best regards,

Ben