forget to update

This commit is contained in:
Axel Kohlmeyer
2021-05-13 11:34:58 -04:00
parent 9cfe665b7a
commit f121ae98d6

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@ -8,7 +8,7 @@ pair_modify mix arithmetic
kspace_style pppm 1e-4
special_bonds amber
atom_modify sort 0 0
atom_modify sort 0 0
read_data lammps.data
@ -25,4 +25,4 @@ thermo 1
fix 1 all nvt temp 300.0 300.0 70.0
mdi_engine
mdi/engine