[gmx-users] Inserting ionic liquids

Pranesh M praneshmwaran at gmail.com
Fri Jun 9 18:52:54 CEST 2017


Dear All,

I am studying the simulation of ionic liquids in water. I want to insert
cation and anion solvate the box with water and perform the simulation.
I can successfully add cation into the box while adding anion using gmx
insert-molecules command the cation disappears.
Please suggest me how to add cations and anion in the box.
Do I need to equilibrate the ionic liquid alone before adding water?
Thank you.


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