How to find out the frame corresponding to a free energy minima in FEL gerenated from gmx_sham?

20 March 2024 0 3K Report

I was able to locate the minima from a 3D FEL plot in origin. On checking the corresponding PC1 and PC2 values in the file containing time frame vs pc1 vs pc2 data, I could not find the respective combination of PCs and hence was unable to locate the frame corresponding the FEL minima. Can anyone help please?

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Science method

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