Here is the input file. I get the error “Pair_coeff command before simulation box is defined”. I’ve tried putting the “computer thermo_temp” stuff before the pair_coeff command but it still won’t work. Am I just ordering the commands incorrectly?
Please advise,
Anne
temp.galliumsim (327 Bytes)
You need to define box and atoms before pair commands, i.e., your
script has no atoms.
Ray
Here is the input file. I get the error "Pair_coeff command before
simulation box is defined". I've tried putting the "computer thermo_temp"
stuff before the pair_coeff command but it still won't work. Am I just
ordering the commands incorrectly?
yes. your suggestion doesn't make sense. what has a compute command to
do with pair_coeff?
axel.