[gmx-users] Fwd: How to can i replace a molecule

Justin Lemkul jalemkul at vt.edu
Mon Oct 8 02:58:08 CEST 2012

On 10/7/12 3:52 PM, Ali Alizadeh wrote:
> Dear All users
> How to can i replace a molecule(for example methane) with another
> molecule(propane)?
> Number of these molecules are given and their position is random,
> Can I use genbox or genion, How to do i do it?

Likely you can't, as you were already advised:


A more robust approach for dealing with mixed systems can be found here:




Justin A. Lemkul, Ph.D.
Research Scientist
Department of Biochemistry
Virginia Tech
Blacksburg, VA
jalemkul[at]vt.edu | (540) 231-9080


More information about the gromacs.org_gmx-users mailing list