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?
http://www.gromacs.org/Documentation/How-tos/Mixed_Solvents
-Justin
--
==================================================
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
jalem...@outerbanks.umaryland.edu | (410) 706-7441
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