dimension       3
boundary        f f f 
units           real
atom_style      full
#bond_style      harmonic
#angle_style     harmonic

read_data       conf-Ih.txt

set type 1 charge 0.0

group   A1 molecule 1
group   A2 molecule 2
group   A3 molecule 3
group   A4 molecule 4
group   A5 molecule 5
group   A6 molecule 6
group   A7 molecule 7
group   A8 molecule 8
group   A9 molecule 9
group   A10 molecule 10

neighbor        2.0 bin
neigh_modify    delay 0 every 1 check yes

#      lenard-jones truncated at rc     cutoff
pair_style  lj/cut  12.0
pair_coeff      1 1   0.0	0.0
pair_modify     mix geometric
velocity        all create 255 24878
# chosen ensemble
fix             12 all nve
fix             17 all temp/csvr 255 255 100 32547

#fix 		11 all shake 0.0001 50 0 b 1 a 1

fix             1 A1 spring/self 1326.4
fix_modify      1 energy yes
#fix_modify      1 respa 1

fix             2 A2 spring/self 1326.4
fix_modify      2 energy yes
#fix_modify      2 respa 1

fix             3 A3 spring/self 1326.4
fix_modify      3 energy yes
#fix_modify      3 respa 1

fix             4 A4 spring/self 1326.4
fix_modify      4 energy yes
#fix_modify      4 respa 1

fix             5 A5 spring/self 1326.4
fix_modify      5 energy yes
#fix_modify      5 respa 1

fix             6 A6 spring/self 1326.4
fix_modify      6 energy yes
#fix_modify      6 respa 1

fix             7 A7 spring/self 1326.4
fix_modify      7 energy yes
#fix_modify      7 respa 1

fix             8 A8 spring/self 1326.4
fix_modify      8 energy yes
#fix_modify      8 respa 1

fix             9 A9 spring/self 1326.4
fix_modify      9 energy yes
#fix_modify      9 respa 1

fix             10 A10 spring/self 1326.4
fix_modify      10 energy yes
#fix_modify      10 respa 1


restart         10000 config_1.txt config_2.txt

thermo          250
thermo_style custom  step ke pe f_1 f_2 f_3 f_4 f_5 f_6 f_7 f_8 f_9 f_10

fix             16 all ave/time 400 10000 8000000 f_1 f_2 f_3 f_4 f_5 f_6 f_7 f_8 f_9 f_10 file ave1

timestep       0.1
#run_style      respa 3 3 2  bond 2  kspace 3
run            8000000