I don’t understand the instructions on how to access a compute command. I have a restart file and I want to compute potential energy per atom. I tried:
read_restart 430Ktogoup.810010
compute 1 all pe/atom
dump myDump all xyz 1 poten.galliumsim
This doesn’t work. I’m not sure if I need the dump command. How do I get the compute output?
Thanks,
Anne