How to choose frame from free energy landscape

[shailesh]

GROMACS version:2021
GROMACS modification: Yes/No
Respected sir.
Sir i generated the 2D plot of Free energy landscape. which i am attaching.
Sir my question is how i know which frame has a minimum energy . and also i want to generate free energy landsacpe diagram between Radius of gyration, RMSD, and free energy.

Shailesh Mani Tripathi
Central University of Rajasthan

[purvak]

Hi,

You can use origin lab software to plot the 3D free energy landscape funnel plot. You just have to convert your .xpm file to .txt