[gmx-users] How to find free energy barrier from FEL which generated from dPCA?

Seera Suryanarayana palusoori at gmail.com
Fri Jan 10 21:20:10 CET 2020


Dear Gromacs users,
I have generated the FEL from dPCA of 20 residues length of peptide. I
check the fel.txt file which was used for the FEL generation in mathmatica.
I was not able to find the energy barriers from the FEL. I request you to
guide to how to find the free energy barriers from this FEL.

Thanks in

Surya
Graduate student
India.


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