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United Carbon Forcefield: C++
Here are two united carbon forcefield to simulate Polyethene chains.
These
two forcefield are similar both in their functional forms and
parameters. The
one called paul has been published in: Paul W, Yoon DY, J Chem Phys
1995,
103(4), 1702-1709. The ucf0 is a forcefield that has been parameterised
in
the Polymer Group at the University of Leeds. United Carbon means that
every
entity represents a CH2 group. In other words,
there is no
hydrogen atoms in the system. Their interactions and masses are
included in
the potential of the carbons that carry them.
ucf
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