units           real
atom_style      full

read_data       DataFile.data

neighbor        2.0 bin
neigh_modify    delay 0 every 1 check yes
comm_modify     mode single cutoff 25 vel yes

timestep        1

fix             1 all move linear 0.0 0.0 0.0 units box

reset_timestep	0

pair_style      none

bond_style 	zero nocoeff
bond_coeff 	*

angle_style 	zero nocoeff
angle_coeff 	*

dihedral_style 	zero nocoeff
dihedral_coeff 	*

improper_style 	zero nocoeff
improper_coeff 	*

compute         1_RDF_P1_P1 all rdf 200 1 1 cutoff 20
compute         2_RDF_P1_P2 all rdf 200 1 2 cutoff 20
compute         3_RDF_P1_P3 all rdf 200 1 3 cutoff 20
compute         4_RDF_P2_P2 all rdf 200 2 2 cutoff 20
compute         5_RDF_P2_P3 all rdf 200 2 3 cutoff 20
compute         6_RDF_P3_P3 all rdf 200 3 3 cutoff 20

fix             2 all ave/time 100 1 100 c_1_RDF_P1_P1[*] file 1_RDF_i0.rdf mode vector
fix             3 all ave/time 100 1 100 c_2_RDF_P1_P2[*] file 2_RDF_i0.rdf mode vector
fix             4 all ave/time 100 1 100 c_3_RDF_P1_P3[*] file 3_RDF_i0.rdf mode vector
fix             5 all ave/time 100 1 100 c_4_RDF_P2_P2[*] file 4_RDF_i0.rdf mode vector
fix             6 all ave/time 100 1 100 c_5_RDF_P2_P3[*] file 5_RDF_i0.rdf mode vector
fix             7 all ave/time 100 1 100 c_6_RDF_P3_P3[*] file 6_RDF_i0.rdf mode vector

dump    	1 all custom 100 *_Monomer_Coordinates id mol type q xu yu zu vx vy vz

compute         b1 all property/local btype batom1 batom2
compute 	b2 all bond/local dist
dump    	2 all local 100 *_Bond_Analysis index c_b1[*] c_b2[*]

compute 	a1 all property/local atype aatom1 aatom2 aatom3
compute 	a2 all angle/local theta
dump    	3 all local 100 *_Angle_Analysis index c_a1[*] c_a2[*]

compute 	d1 all property/local dtype datom1 datom2 datom3 datom4
compute 	d2 all dihedral/local phi
dump    	4 all local 100 *_Dihedral_Analysis index c_d1[1] c_d1[2] c_d1[3] c_d1[4] c_d1[5] c_d2[*]

compute 	i1 all property/local itype iatom1 iatom2 iatom3 iatom4
compute 	i2 all improper/local chi
dump 		5 all local 100 *_Improper_Analysis index c_i1[1] c_i1[2] c_i1[3] c_i1[4] c_i1[5] c_i2[1]

run             100