hi users,
I want to constrain the selected atoms of the system in only one direction.
If I use the following lines
".
.
displace_atoms datoms move 0 0.1 0 units box
fix 1 mobile nvt temp 10 10 0.01 drag 0.2
.
."
it means that all 3 dimensions of ‘datoms’ were constrained as group ‘mobile’ did not include ‘datoms’. If I let the ‘datoms’ also to evolve as mobile atoms then no constrain applied.
Can any one suggest best way to keep only one dimension constrained and rest 2 are to evolve with the rest of the system,
Thanks,