[gmx-users] problem vwith ethanol-water solution

Justin Lemkul jalemkul at vt.edu
Thu Oct 31 21:18:07 CET 2013

On 10/31/13 2:25 PM, Ehsan Sadeghi wrote:
> Hi gmx users,
> I want to solvate nafion molecules in a 3:1 ethanol water solution. I used
> genbox with -ci option to add ethanol to water when generating the box, but
> it did not work. Then, first I solvated the ethanol in water, and then added

What "did not work?"  In the absence of exact commands and description of the 
undesirable output, there's little to suggest from such statements.

> the nafion to the system, but these 3 molecules each sit a part from each
> other in the box in the pdb file. Any suggestion?




Justin A. Lemkul, Ph.D.
Postdoctoral Fellow

Department of Pharmaceutical Sciences
School of Pharmacy
Health Sciences Facility II, Room 601
University of Maryland, Baltimore
20 Penn St.
Baltimore, MD 21201

jalemkul at outerbanks.umaryland.edu | (410) 706-7441


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