[gmx-users] Fwd: Related to PCA
jishrat17 at gmail.com
Fri Oct 6 08:40:59 CEST 2017
---------- Forwarded message ----------
From: ISHRAT JAHAN <jishrat17 at gmail.com>
Date: Fri, Oct 6, 2017 at 12:08 PM
Subject: Related to PCA
To: gromacs.org_gmx-users at maillist.sys.kth.se
If we plot the Free Energy Landscapes of proteins from First two principal
components as used by GROMACS, then could anyone please guide as to what is
the best possible way forward to interpret the results effectively?
Also, I want to know how to calculate the structure of protein
corresponding to lowest free energy in FELs.
Thanks in advance
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