[gmx-users] adding mixed solvent using genbox

Justin Lemkul jalemkul at vt.edu
Tue Jul 24 13:14:21 CEST 2007

Quoting shankari hariharan <hariharanshankari at gmail.com>:

> Dear Users,
> I want to simulate a box which consists of glycine(32), water(1000) and
> ethanol (130).
> 1. I used geconf to generate the glycine.gro file with the required number
> and at a particular distance.
> 2. Then I used genbox to solvate the molecules.
> I couldn't understand the option of adding mixed solvent in genbox. Kindly
> give me suggestion to add ehanol to the system

Have you tried using genbox with the -ci and -nmol options?  I believe that will
do what you want.



Justin A. Lemkul
Department of Biochemistry
Virginia Tech
Blacksburg, VA
jalemkul at vt.edu
(540) 231-9080


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