Re: [AMBER] how to create a mixture solvent of hexane and water

From: setyanto tri wahyudi <stwahyudi.gmail.com>
Date: Fri, 23 Jul 2010 17:21:41 +0700

Dear Prof. Case
Thank you for your recommendation. It works. but another problem was appear.
I need to make hexane (or other organic solvent) topology.

thanks.
setyanto

On Thu, Jul 15, 2010 at 7:16 PM, case <case.biomaps.rutgers.edu> wrote:

> On Thu, Jul 15, 2010, setyanto tri wahyudi wrote:
> >
> > I want to simulate lipase in interfacial condition using mixture solvent
> > hexane-water or as generally organic-water.
> > This mixture solvent should be adjusted (10% v/v, 20% v/v, 30%v/v
> etc....).
>
> I think the packmol program is one often recommended for such tasks.
>
> ...good luck...dac
>
>
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Received on Fri Jul 23 2010 - 03:30:05 PDT
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