forked from lijiext/lammps
12 lines
302 B
Plaintext
12 lines
302 B
Plaintext
# demo for atom style template simulating a cyclohexane methane mixture
|
|
# part 3: continuing from restart file
|
|
|
|
molecule cychex cyclohexane.mol
|
|
read_restart molecular-mix.restart
|
|
|
|
thermo 100
|
|
|
|
fix 1 all nvt temp 300.0 300.0 1.0
|
|
# dump 1 all custom 100 custom template-mix.lammpstrj id xu yu zu
|
|
run 2000
|