Major release. 178 commits since v1.15.4 (2026-04-19).
Breaking changes:
- gro2udf UDF atom field semantics: Atom_Name=element, Atom_Type_Name=force-field type (MOL0_X→<element><N>), Atom_ID=per-mol local 0-indexed
- License: v1.23+ Apache-2.0 (≤ v1.22 MIT)
New subpackages: cg.peptide (1.18), cg.membrane (1.19), genesis.grest (1.20), fragmenter (1.21), genesis.mmgbsa (1.22), crystal (1.23), fragmenter.cg_segmenter (1.24), hbond (1.25-1.28), cg.dpd (1.26), formulation (1.30)
gro2udf major expansion: multi-frame trajectory + xvg energy + mdp Time sync + Statistics_Data Inst/Batch/Total 3 fields + OCTA8.4 cognac10.1 support + 5 CLI options (--cognac-version, --topology-only, --initial-gro, --trajectory, --energy)
Windows support: --charge_method {am1bcc,nagl,gasteiger}, install guide, micromamba run examples