[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
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