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marrink-lab / polyply_1.0

Generate input parameters and coordinates for atomistic and coarse-grained simulations of polymers, ssDNA, and carbohydrates
Apache License 2.0
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Contribute OPLS/CM1A (LigParGen) model for PS #361

Open ricalessandri opened 5 months ago

ricalessandri commented 5 months ago

Contributing an OPLS/CM1A model for PS.

This PR should wait for https://github.com/marrink-lab/polyply_1.0/pull/327. In the meantime, it is useful for https://github.com/marrink-lab/polyply_1.0/issues/355.