TYPE |
|
| TYPE (REFLECTIVE|QUADRATIC|QUARTIC|GAUSSIAN|NONE)
|
| Specify the type of wall
|
| This optional keyword expects a keyword. Default value: NONE
|
| valid keywords: REFLECTIVE : Reflective wall. Colvar velocity is inverted when the colvar is beyond the wall position.
QUADRATIC : Applies a quadratic potential at the wall position.
QUARTIC : Applies a quartic potential at the wall position.
GAUSSIAN : Applies a gaussian potential at the wall position.
NONE : No walls are applied.
|
POSITION |
|
| POSITION
| Specify the value of the colvar for the wall position
| | This optional keyword expects a real. Default unit: [internal_cp2k]. | |