Re: [AMBER] Modifying Topology to Use OPC Water Instead of TIP3P

From: Carlos Simmerling via AMBER <amber.ambermd.org>
Date: Wed, 18 Sep 2024 06:14:59 -0400

That is a major change and I don't think possible without rebuilding the
system. Charmm-gui supports OPC.

On Wed, Sep 18, 2024, 4:55 AM Maciej Spiegel via AMBER <amber.ambermd.org>
wrote:

> Dear AMBER Users,
>
> I am seeking advice on how to seamlessly change the topology of an
> existing file. Currently, I am working with a membrane system that I
> generated using CHARMM-GUI. However, CHARMM-GUI provides a topology with
> TIP3P water, while I would like to use OPC water instead. How to achieve
> this modification?
>
> Thanks
>
> –
> Maciej Spiegel, MPharm PhD
> assistant professor
> .GitHub <https://farmaceut.github.io/>
>
> Department of Organic Chemistry and Pharmaceutical Technology,
> Faculty of Pharmacy, Wroclaw Medical University
> Borowska 211A, 50-556 Wroclaw, Poland
> <https://www.google.com/maps/search/Borowska+211A,+50-556+Wroclaw,+Poland?entry=gmail&source=g>
>
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Received on Wed Sep 18 2024 - 03:30:02 PDT
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