This script is used for optimizing Chi1/Chi2 dihedral parameters using reweighting approach, such that 2D surfaces from the simulated and target data will have a higher overlap coefficient.
-
Notifications
You must be signed in to change notification settings - Fork 0
fylinhub/Reweighting-algorithm-Python
Folders and files
| Name | Name | Last commit message | Last commit date | |
|---|---|---|---|---|
Repository files navigation
About
Automatic fitting of Dihedral parameters targeting Experimental data
Resources
Stars
Watchers
Forks
Releases
No releases published
Packages 0
No packages published