[gmx-users] Wham analysis

Negar Parvizi negar.parvizi at yahoo.com
Sun Aug 18 11:10:32 CEST 2019


Dear all, I used Justin's tutorial(Tutorial 3: Umbrella Sampling: GROMACS Tutorial ) for my file which is protein-ligand complex.
The pulling force was in Y direction. when Umbrella sampling finished, "Wham" couldn't analysis the data because wham is in z direction.what should I do now for wham analysis? how can I change it to Y direction?

I would  appreciate any help
Tanks in advance,
Negar



More information about the gromacs.org_gmx-users mailing list