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Can the Molecular Dynamics Simulation Engine Utilize GROMACS?

Status: Open.

#84 In RadonPy/RadonPy;

· ZhuochenYu opened on Jan 4, 2026

it got stuck at "RadonPy info: Start optimization of 2 conformers by MM level."

Status: Open.

#83 In RadonPy/RadonPy;

· JustMeStudio opened on Dec 31, 2025

test

Status: Open.

#82 In RadonPy/RadonPy;

· li1u opened on Dec 24, 2025

develop_0.3 doesn't install for 3.10+

Status: Open.

#71 In RadonPy/RadonPy;

· jaclark5 opened on Oct 12, 2025

How to fix the massage 'Unable to completely converge to displaced geometry.','Couldn't converge this mini-step; quitting with previous geometry.'

Status: Open.

#70 In RadonPy/RadonPy;

· laowang-os opened on Sep 29, 2025

maxAttempts not a property of etkdg (mol_from_smiles error)

Status: Open.

#67 In RadonPy/RadonPy;

· rramji opened on Jun 27, 2025

Get specific chirality with atac_array

Status: Open.

#66 In RadonPy/RadonPy;

· Leticia-maria opened on Jun 22, 2025

Question on the raw data of MD trajectories for > 1000 polymers

Status: Open.

#62 In RadonPy/RadonPy;

· Chenghao-Wu opened on Dec 4, 2024

How to fix the issue of Error termination of LAMMPS

Status: Open.

#61 In RadonPy/RadonPy;

· Qingshi1201 opened on Dec 1, 2024

Cross product is [0,0,0] in poly.connect_mols

Status: Open.

#60 In RadonPy/RadonPy;

· tonosunn opened on Oct 31, 2024

Got the error message while executing eqmd.exec

Status: Open.

#59 In RadonPy/RadonPy;

· R09524081 opened on Oct 16, 2024

TypeError in quick_rw when using poly.polymerize_rw with LAMMPS

Status: Open.

#48 In RadonPy/RadonPy;

· onecoinbuybus opened on Sep 1, 2023