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lammps/tools/moltemplate/examples/CG_protein_folding_examples/1bead+chaperone/unfrustrated+chaperonin/run.in.min
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run.in.min
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# -- Init section --
include system.in.init
# -- Atom definition section --
read_data system.data
# -- Settings Section --
include system.in.settings
# -- Run section --
dump 1 all custom 50 traj_min.lammpstrj id mol type x y z ix iy iz
minimize 1.0e-5 1.0e-7 500 2000
write_restart system_after_min.rst
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