CV:AXANG: Difference between revisions
Jump to navigation
Jump to search
no edit summary
(Created page with "__NOEDITSECTION__ Navigation: Documentation / Collective Variables / CV:AXANG ---- {{CVS}} ===Definition=== The angle between two axes of two principal moments of...") |
No edit summary |
||
| Line 47: | Line 47: | ||
| [[Mask format|mask]] | | [[Mask format|mask]] | ||
| | | | ||
| single atom specifying the end of approximate vector in the direction of principal moment. The vector origin is in '''A'''<sub>com</sub>. The atom must be member of the group '''A''' | | single atom specifying the end of approximate vector in the direction of principal moment. The vector origin is in '''A'''<sub>com</sub>. The atom must be member of the group '''A''' | ||
|- | |- | ||
| '''direction_a''' | | '''direction_a''' | ||
| x, y, z | | x, y, z | ||
| | | | ||
| | | selection of corresponding principal moment vector | ||
|- | |- | ||
| '''group_b''' | | '''group_b''' | ||
| Line 62: | Line 62: | ||
| [[Mask format|mask]] | | [[Mask format|mask]] | ||
| | | | ||
| single atom specifying the end of approximate vector in the direction of principal moment. The vector origin is in '''B'''<sub>com</sub>. The atom must be member of the group '''B''' | | single atom specifying the end of approximate vector in the direction of principal moment. The vector origin is in '''B'''<sub>com</sub>. The atom must be member of the group '''B''' | ||
|- | |- | ||
| '''direction_b''' | | '''direction_b''' | ||
| x, y, z | | x, y, z | ||
| | | | ||
| | | selection of corresponding principal moment vector | ||
|} | |} | ||
''Keys in bold are mandatory.'' | ''Keys in bold are mandatory.'' | ||