[gmx-users] polymer chain length and density

[Juliette N.]

Dear experts,

I have a quick and naive inquiry. I see in the molecular dynamics
simulations that density of the polymers increase slightly with increasing
degree of polymerization ( or Mw). Even for the systems having the same
total atom numbers but one with less number of chains of higher Mw. My guess
its because of the less void space in case of higher Mw chains..?!

And usually properties depending on Mw level off with no significant change
in the property of interest vs chain length.

Please kindly help!

Thanks,
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