Re: Free energy plot

From: Miao, Yinglong (miao_at_ku.edu)
Date: Tue Feb 19 2019 - 21:34:04 CST

Hi Faramarz,

You can check out the PyReweighting scripts at:
http://miao.compbio.ku.edu/PyReweighting/

Yinglong

Yinglong Miao, Ph.D.
Assistant Professor
Center for Computational Biology and
Department of Molecular Biosciences
University of Kansas
http://miao.compbio.ku.edu

On Feb 19, 2019, at 11:57 AM, Faramarz Joodaki <fjoodaki_at_my.uri.edu<mailto:fjoodaki_at_my.uri.edu>> wrote:

Hi everyone!

I have done some aMD simulations and would like to plot "free energy plot" as a function of backbone torsional angles (phi and psi). Phi and Psi has been collected by Colvars and boost potentials have been saved over aMD simulations. I can write a code for this purpose but I thought that it may be a good tool for doing that. I would be so grateful if you could guide me with this issue.

Best Regards,
Faramarz

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