[gmx-users] Fwd: Simulation of surfactant and water composition

R C Dash rcdash0910 at gmail.com
Thu Oct 12 18:19:40 CEST 2017


Use packmol software for system generation, save it in PDB file and then
use appropriate force field .

On Thu, Oct 12, 2017 at 8:01 AM, Amali Guruge <amaligg2010 at gmail.com> wrote:

> ---------- Forwarded message ----------
> From: <gromacs.org_gmx-users-owner at maillist.sys.kth.se>
> Date: Thu, Oct 12, 2017 at 10:11 PM
> Subject: Simulation of surfactant and water composition
> To: amaligg2010 at gmail.com
>
>
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> ---------- Forwarded message ----------
> From: Amali Guruge <amaligg2010 at gmail.com>
> To: gromacs.org_gmx-users at maillist.sys.kth.se
> Cc:
> Bcc:
> Date: Thu, 12 Oct 2017 22:11:11 +1100
> Subject: Simulation of surfactant and water composition
> Dear Gromacs users,
>
> I want to model a system which contains surfactant molecules and water
> molecules. I also want to model the system with w/w 15% surfactant/water
> composition. Could you please guide me to model the system and do the
> simulation using Gromacs software. Appreciate, if anyone can give a
> tutorial to do the simulation in step by step.
>
> Thank you.
>
> Sincerely,
> A Guruge
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