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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Raise warning build file parser #269

Open fgrunewald opened 2 years ago

fgrunewald commented 2 years ago

If the origin point of the geometric constraints is smaller than the radius or edge length of the constraint in that direction, it is typically a misunderstanding of the geometry constraints. For instance a sphere entered at 0,0,0 would be just a quarter sphere of the radius given.