Re: [AMBER] a question about replica exchange

From: Carlos Simmerling <carlos.simmerling.gmail.com>
Date: Mon, 15 Oct 2012 06:12:10 -0400

why would there be MD errors?


On Mon, Oct 15, 2012 at 2:19 AM, Albert <mailmd2011.gmail.com> wrote:

> hello:
>
> I find that most REMD were produced in implicit solvent and I've got a
> question for that:
>
> it is no doubt that our protein is of many charges and the total charge
> of the REMD system is not zero. How Amber avoid MD errors from this issue?
>
> thank you very much
> best
> Albert
>
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Received on Mon Oct 15 2012 - 03:30:03 PDT
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