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Water example with LAMMPS #2

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mattwthompson opened this issue Mar 19, 2020 · 0 comments
Open

Water example with LAMMPS #2

mattwthompson opened this issue Mar 19, 2020 · 0 comments

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@mattwthompson
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Like #1 but with LAMMPS instead of GROMACS. Nearly all of the system setup should be doable with the same code, just swapping out writers.

This may depend on mosdef-hub/gmso#361, as @rmatsum836 noted that the LAMMPS writer may not write angles correctly (specifically, the order of atom indices in each angle).

I am going to tag a few people I know are familiar with LAMMPS who should be able to help: @shivrajkotkar @jingxiangguo @zijiewu3

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