[gmx-users] sampling convergence of FEL

[Subhomoi Borkotoky]

Dear users,

I have a 100 ns simulation trajectory and I have generated FEL (free energy
landscape) with it to extract a minimum energy conformation of my protein.

How can I show sampling convergence of FEL  in gromacs? Do I have to split
the trajectory (say 50:50) and generate FELs from both halves to compare?

-- 
Yours Sincerely,
--------------------------
SUBHOMOI BORKOTOKY,
Centre for Bioinformatics
Pondicherry University
Pondicherry,INDIA.

Alternate Email: subhomoi at mails.bicpu.edu.in

https://scholar.google.co.in/citations?user=bJz7GokAAAAJ&hl=en