Re: enhanced sampling of flexible tail

From: Brian Radak (brian.radak_at_gmail.com)
Date: Tue Jun 05 2018 - 16:16:15 CDT

I recommend chapter 12 of the user guide "Accelerated Sampling Methods."
You might also look at Chapter 10 concerning collective variables.

On Tue, Jun 5, 2018 at 5:02 PM, Dhiraj Srivastava <dhirajks_at_gmail.com>
wrote:

> Hi All
> I want to do MD simulation of my protein where one end is flexible
> and we believe that flexible tail interacts with rest of the protein in
> certain situation. is there any way, I can do enhanced sampling of only the
> flexible tail?
>
> Thank you
> Dhiraj
>

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