units		real	                             
atom_style	full                                
boundary        p p p				     
read_data       geom1.cfg 
replicate	1 1 1				     #

variable        dt equal dt
variable        ext_temp equal 300
variable        Tdamp equal 100.0	     

pair_style	lj/cut/coul/long 15.0 15.0           
pair_modify     tail yes			    
bond_style      harmonic
angle_style     harmonic
kspace_style	pppm 1.0e-4                          #
                   
pair_coeff      * 1 0.0000 0.0000                    
pair_coeff	2 2 0.07153934924399673 3.31000      

bond_style	harmonic   			     
angle_style	harmonic			     
dihedral_style	none				     
improper_style	none				     

bond_coeff	1 5000.00 0.550                     
angle_coeff	1 500.0 180.00			    
		  				     
pair_write  2 2  50000 r 1.0 15  table_NN.pot NN   -0.482 -0.482
pair_write  1 1  50000 r 1.0 15  table_CpCp.pot CpCp  0.96400    0.96400 
pair_write  2 1  50000 r 1.0 15  table_NCp.pot NCp  -0.482    0.96400

reset_timestep  0                                    
run           1