[gmx-users] problem vwith ethanol-water solution

Riccardo Concu ric.concu at gmail.com
Thu Oct 31 19:46:28 CET 2013

Dear Ehsan,
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.

-----Original Message----- 
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?

Kind regards,

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