[gmx-users] problem vwith ethanol-water solution
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.
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
More information about the gromacs.org_gmx-users