[gmx-users] Inserting ionic liquids

[Justin Lemkul]

On 6/9/17 12:52 PM, Pranesh M wrote:
> 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.

This implies an incorrect sequence of commands, but without seeing what you're 
doing it's impossible to tell.  You can certainly e.g. add the cation to an 
empty box, then the anion to the box of cations, and finally solvate with water.

-Justin

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Justin A. Lemkul, Ph.D.
Ruth L. Kirschstein NRSA Postdoctoral Fellow

Department of Pharmaceutical Sciences
School of Pharmacy
Health Sciences Facility II, Room 629
University of Maryland, Baltimore
20 Penn St.
Baltimore, MD 21201

jalemkul at outerbanks.umaryland.edu | (410) 706-7441
http://mackerell.umaryland.edu/~jalemkul

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