units           real
atom_style      full

pair_style lj/cut/coul/cut 10.0 8.0
bond_style      harmonic
angle_style     harmonic
dihedral_style  harmonic
improper_style  harmonic

read_data       crambin.lammps05

neighbor        2.0 bin
neigh_modify    delay 5

timestep        2.0

thermo_style    multi
thermo          50

fix             1 all nvt 275.0 275.0 100.0

# fix             2 all shake 0.0001 10 100 b 4 6 8 10 12 14 18 a 31
# group           peptide type <= 12
# dump            1 peptide atom 10 dump.peptide

run             10000

