I use the commands
dump traj all cfg 100000 /ccc/scratch/cont002/den/sivierom/frenkel/50_50/0.5/dump.config.*.cfg mass type xsu ysu zsu type
dump_modify traj element Ni Fe
to export snapshots of my simulation trajectory. The problem is that the simulation box in these snapshots is displayed as 10 times bigger than it should. I blame the line in the .cfg files:
…
A = 10 Angstrom (basic length-scale)
Why would it do that and is there any way to set the length scale to 1 angstrom?
Thank you in advance,
Mattia
When unwrapped coordinates xsu, ysu, and zsu are requested, the nominal AtomEye periodic cell dimensions are expanded by a large factor UNWRAPEXPAND = 10.0, which ensures atoms that are displayed correctly for up to UNWRAPEXPAND/2 periodic boundary crossings in any direction. Beyond this, AtomEye will rewrap the unwrapped coordinates. The expansion causes the atoms to be drawn farther away from the viewer, but it is easy to zoom the atoms closer, and the interatomic distances are unaffected.