[gmx-users] problem vwith ethanol-water solution
ric.concu at gmail.com
Thu Oct 31 19:46:28 CET 2013
Did you try to pack your box with packmol? I have a similar system and
packmol pack my system quite well and in a random way.
From: Ehsan Sadeghi
Sent: Thursday, October 31, 2013 7:25 PM
To: Discussion list for GROMACS users
Subject: [gmx-users] problem vwith ethanol-water solution
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
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?
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