Re: [AMBER] How to use a relatively smaller cutoff in the GB simulation

From: Carlos Simmerling <carlos.simmerling.gmail.com>
Date: Wed, 23 Jun 2021 06:14:17 -0400

You can change the value in your mdin file. It may not make the simstion
much faster, try it and see.

On Wed, Jun 23, 2021, 6:11 AM jinfeng liu <jinfengliu1119.gmail.com> wrote:

> Dear Amber developers and users,
>
> I am simulating a huge protein system by using the GB model. I know that
> the GB simulation requires cut > 999. However, I want to use a smaller
> cutoff value (~30 A) in the GB simulation. What should I do to achieve that
> ? Thanks a lot !
>
> Best,
> Jinfeng
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Received on Wed Jun 23 2021 - 03:30:02 PDT
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