			variable ibead uloop 8 pad

			units real
			neigh_modify delay 2 every 1

			atom_style full
			bond_style harmonic
			angle_style charmm
			dihedral_style charmm
			improper_style harmonic

			pair_style lj/charmm/coul/long 11 12
			pair_modify mix arithmetic
			kspace_style pppm 1e-4

			read_data system.data
			#read_restart restart/system_${ibead}.rest1
			special_bonds charmm

			fix 1 all pimd method nmpimd fmass 1.0 temp 300.0 nhc 4 sp 2.0

			thermo 10
			thermo_style custom step temp pe etotal
			timestep 0.08

			restart 100 restart/system_${ibead}.rest1 restart/system_${ibead}.rest2

			group prot id <= 256
			dump 1 prot dcd 100 dcd/prot_${ibead}.dcd

			run 2000000

lammps/examples/USER/misc/pimd/prot-hairpin/in.scp
507bde5b5a92lammm-master-deprecated

in.scp
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