Unexpected reordering of resid with split flag

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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Open fgrunewald opened 11 months ago

fgrunewald commented 11 months ago

Describe the bug Using the -split flag causes a renumbering of all resid. However, the resid start at 0 instead of 1.

Command line arguments Concerns all commands with

polyply gen_coords -split

Expected behavior The new and or old resids should start at 1