Re: REUS

From: zeynab hosseini (hosseinizeynab93_at_gmail.com)
Date: Fri Oct 09 2020 - 13:51:32 CDT

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Hi,

There are two comprehensive and very-well written tutorials for the REUS
method on the NAMD page.
Why you don't simply follow them?
http://www.ks.uiuc.edu/Training/Tutorials/#freeenergymethods

All the best,
Hosseini

On Mon, Sep 28, 2020 at 12:39 PM Ashkan Shekaari <shekaari_at_email.kntu.ac.ir>
wrote:

> Dear experts,
>
> How one could prepare suitable input files for a Replica Exchange Umbrella
> Sampling simulation?
> How is it possible to introduce the biasing potential to an equilibration
> simulation?
> Where and to what file the biasing potential should be added?
>
> *--*
> *All the best,*
> *Ashkan Shekaari,*
> *Ph.D Candidate in Solid State Physics,*
> *K. N. Toosi University of Technology,*
> *Tehran, Iran*
>

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