Fix/coordreading - Githubissues

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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Closed fgrunewald closed 1 year ago

fgrunewald commented 2 years ago

This resolves a bug where the molecule coordinates are permuted due to the residue graph being unsorted.