Dear all,
I restart a simulation with some newly added command like:
variable selectX equal x[${selected_PKA}]
and I got error : ‘Indexed per-atom vector in variable formula without atom map’ ,it turns out to be that I did not add Atom_modify map command in the simulation which created this restart file.
Adding ‘Atom_modify map’ in current input file is not available, since it can’t not be added after the box is defined. So how should I fix this?
Dear all,
I restart a simulation with some newly added command like:
variable selectX equal x[${selected_PKA}]
and I got error : ‘Indexed per-atom vector in variable formula without atom map’ ,it turns out to be that I did not add Atom_modify map command in the simulation which created this restart file.
Adding ‘Atom_modify map’ in current input file is not available, since it can’t not be added after the box is defined. So how should I fix this?
you could convert your restart file into a data file and use read_data instead of read_restart
a data file contains less information, so you have to repeat multiple global settings, but it also allows to change the atom_map setting.
axel.