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LIGGGHTS-PFM/tools/def.chain
2013-03-28 21:33:49 +01:00

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Polymer chain definition
0.8442 rhostar
592984 random # seed (8 digits or less)
1 # of sets of chains (blank line + 6 values for each set)
0 molecule tag rule: 0 = by mol, 1 = from 1 end, 2 = from 2 ends
320 number of chains
100 monomers/chain
1 type of monomers (for output into LAMMPS file)
1 type of bonds (for output into LAMMPS file)
0.97 distance between monomers (in reduced units)
1.02 no distance less than this from site i-1 to i+1 (reduced unit)