fix drag command¶
fix ID group-ID drag x y z fmag delta
ID, group-ID are documented in fix command
drag = style name of this fix command
x,y,z = coord to drag atoms towards
fmag = magnitude of force to apply to each atom (force units)
delta = cutoff distance inside of which force is not applied (distance units)
fix center small-molecule drag 0.0 10.0 0.0 5.0 2.0
Apply a force to each atom in a group to drag it towards the point (x,y,z). The magnitude of the force is specified by fmag. If an atom is closer than a distance delta to the point, then the force is not applied.
Any of the x,y,z values can be specified as NULL which means do not include that dimension in the distance calculation or force application.
This command can be used to steer one or more atoms to a new location in the simulation.
Restart, fix_modify, output, run start/stop, minimize info¶
No information about this fix is written to binary restart files.
This fix computes a global 3-vector of forces, which can be accessed by various output commands. This is the total force on the group of atoms by the drag force. The vector values calculated by this fix are “extensive”.