genfeature
- This command is used after executing
pacs mdrun. - This command generates data that will be used for MSM analysis.
- This command supports parallel process.
| feature | mdtraj | gmx | cpptraj |
|---|---|---|---|
| comdist | o | x | x |
| comvec | o | x | x |
| pca | o | x | x |
| tica | o | x | x |
| rmsd | o | x | x |
| xyz | o | x | x |