Skip to content

polly-code/lammpstrj_motion_correction

Folders and files

NameName
Last commit message
Last commit date

Latest commit

 

History

3 Commits
 
 
 
 
 
 

Repository files navigation

lammpstrj_motion_correction

Subtract the translational and rotational movement of the polymer chain to study subdiffusion. It works quite bad for systems with less than 50 beads. Example:

python lmp_motion_correction.py /path/to/lammpstrj /path/to/topology/file

Topology file should contain information on connectivity and bead types. More information can be found here https://www.mdtraj.org/1.9.5/index.html

About

Subtract the translational and rotational movement of the polymer chain to study subdiffusion. It works quite bad for systems with less than 50 beads.

Resources

License

Stars

0 stars

Watchers

1 watching

Forks

Releases

No releases published

Packages

 
 
 

Contributors

Languages