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deGrootLab /pmxPublic

forked from dseeliger/pmx

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Pull requests: deGrootLab/pmx

Labels 8 Milestones 1

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Pull requests list

Fixing two small issues

#61 opened Mar 13, 2026 by benjamin-lieser

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Fix Cl and Br atom issue in atomMapping

#60 opened Dec 2, 2025 by k-ujihara

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Added functionality to read CONECT entries from PDB.

#55 opened May 23, 2025 by pbuslaev

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Convert to python 3

#41 opened Jan 7, 2024 by aizvorski

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Add setup_abfe and analyze_dhdl functionalities

#28 opened Aug 25, 2022 by lmacaya

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correct merging of [ atomtypes ] when bondtypes are used within.

#21 opened Oct 27, 2021 by zetadin

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