echo               both
units              real
dimension          3
boundary           p p p
atom_style         full

#restart 200       restart

# Pair_Coefficient ..............................................................................................................................................


pair_style    	    lj/class2/coul/long 10 15
dielectric          1.0
bond_style          class2
angle_style         class2
dihedral_style      class2
improper_style      class2
read_data          System.data
info coeffs out log

#...................................................................................................................................................................................

kspace_style        pppm 0.0001


neighbor           2  bin
neigh_modify       every 1 delay 0 check yes

velocity        all create 300.0 497 dist gaussian


minimize 1.0e-6 1.0e-6 5000 5000
write_data Nafion_3landa.data

#minimize          1.0e-8 1.0e-10 1000 10000


#fix 3 all          npt temp 300.0 300.0 10.0 iso 1.0 1.0 1000.0
#fix 1 all         nve
#fix 2 all          nvt temp 10.0 300.0 100.0
#fix 2 all         langevin 300.0 300.0 100.0 48279 scale 3 1.5

#Exports ......................................................................................................................................

#nvt run
fix 2 all          nvt temp 300.0 300.0 50.0
timestep           0.5
thermo	           1000
thermo_style       custom step cpu temp pe ke epair ecoul  etotal density lx ly lz
dump 1             all xyz 1000 System.xyz
run	               400000
undump             1
write_restart 	   restart-1.equil
unfix 2
#..............................................................................................................................................