Re: [AMBER] Acetonitrile Water Mix

From: Marcos Serrou do Amaral <marcossamaral.gmail.com> Date: Wed, 5 Apr 2017 08:46:25 -0400

---
Marcos S.A.
On Wed, Apr 5, 2017 at 8:35 AM, Andreas Tosstorff <
andreas.tosstorff.cup.uni-muenchen.de> wrote:
> Hi all,
>
>
> I am trying to simulate a protein in a 60% acetonitrile, 40% water
> mixture. I observed that the two solvents arrange in layers rather than to
> form a homogeneous mix. See the attached pictures and input files.
>
>
> Any advice on how to perform simulations with solvent mixtures?
>
>
> Best,
>
> Andy
>
>
>
>
> --
> M.Sc. Andreas Tosstorff
> Lehrstuhl für Pharmazeutische Technologie und Biopharmazie
> Department Pharmazie
> LMU München
> Butenandtstr. 5-13 ( Haus B)
> 81377 München
> Germany
> Tel.: +49 89 2180 77059
>
>
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