Re: Error Analysis in Metadynamics

From: Miro Astore (miro.astore_at_gmail.com)
Date: Tue Apr 20 2021 - 02:35:11 CDT

• Next message: Pawel Kedzierski: "Meaning of the warning: Low global exclusion count!"
• Previous message: Diship Srivastava: "Error Analysis in Metadynamics"
• In reply to: Diship Srivastava: "Error Analysis in Metadynamics"
• Next in thread: Giacomo Fiorin: "Re: Error Analysis in Metadynamics"
• Reply: Giacomo Fiorin: "Re: Error Analysis in Metadynamics"
• Messages sorted by: [ date ] [ thread ] [ subject ] [ author ] [ attachment ]

Hi Diship, you should be able to use the code/techniques in this tutorial.
Good luck.

https://urldefense.com/v3/__https://www.plumed.org/doc-v2.5/user-doc/html/trieste-4.html__;!!DZ3fjg!sp8OPR83ZO7SNR9X9YYdw-9CIV1DXCkkqKUva3mWJ5o6ou3SWvonbwVzjmecWx3n9w$

On Tue, Apr 20, 2021 at 4:41 PM Diship Srivastava <
dishipsrivastava_at_gmail.com> wrote:

> Hi,
> I have done well tempered metadynamics for a system consisting of a
> molecule insertion into a bilayer using the colvars module. I am
> interested in doing an error analysis for obtained free energy
> preferably using colvars.
> Any help would be most appreciated.
>
> Thanks in advance
>
>
>
> --
> Diship Srivastava
> JRF
> Department of Chemistry
> IIT(ISM) - Dhanbad
> India
>

-- 
Miro A. Astore   (he/him)
PhD Candidate | Computational Biophysics
Office 434 A28 School of Physics
University of Sydney

• Next message: Pawel Kedzierski: "Meaning of the warning: Low global exclusion count!"
• Previous message: Diship Srivastava: "Error Analysis in Metadynamics"
• In reply to: Diship Srivastava: "Error Analysis in Metadynamics"
• Next in thread: Giacomo Fiorin: "Re: Error Analysis in Metadynamics"
• Reply: Giacomo Fiorin: "Re: Error Analysis in Metadynamics"
• Messages sorted by: [ date ] [ thread ] [ subject ] [ author ] [ attachment ]

This archive was generated by hypermail 2.1.6 : Fri Dec 31 2021 - 23:17:11 CST