[lammps-users] can lammps do this？

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1

Hello:

I want to explore the dissolution and regeneration mechanism of cellulose in ionic liquids by molecular dynamic simulation.

And my question is can lammps do this.

Thank you very much for any answer!

2

People have modeled all-atom cellulose with MD and LAMMPS.
There is a group at ORNL that does large-scale models
of this. However, the question is what timescale is
needed to dissolve/regenerate a large molecule. Probably
a much longer timescale than is accessible by all-atom MD.

Steve

2010/12/8 Chen.Mingjie <[email protected]...>: