Re: [AMBER] How to set salt concentration

From: Aashish Bhatt <aashish.ph16221.inst.ac.in>
Date: Thu, 2 Jul 2020 09:45:29 +0530

Dear Nada

Please look at the link
https://www.phys.ksu.edu/personal/schmit/SLTCAP/SLTCAP.html

Best Regards

Aashish


On Thu, Jul 2, 2020 at 9:41 AM Suchetana Gupta <tutulg.gmail.com> wrote:

> You can first set the charge of the system to zero, in Leap by the usual
> method. And then follow the same commands to add the required number of
> ions to attain the desired concentration.
> There is an old thread in this forum regarding this. Please look for it for
> details.
> Thanks
> Suchetana
>
> On Thu, 2 Jul 2020, 09:25 Nada Afiva, <nadaafiva.gmail.com> wrote:
>
> > Dear all,
> > I would like to simulate receptor-ligand complex and set the salt
> > concentration 0.1 M.
> > If anyone knows how to set the concentration, please let me know.
> > Thank you.
> >
> > Nada afiva
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> >
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Received on Wed Jul 01 2020 - 21:30:05 PDT
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