[gmx-users] Regarding sampling convergence
subhomoy.bk at gmail.com
Fri May 19 13:55:09 CEST 2017
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 at every 20ns) and generate FELs from them to compare?
Centre for Bioinformatics
Alternate Email: subhomoi at mails.bicpu.edu.in
More information about the gromacs.org_gmx-users