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Failure at Fragments

Status: Open.

#84 In TinkerTools/poltype2;

· BonnieQian opened on Sep 18, 2025

Bug Report: Incorrect Aromatic Ring Detection and Parameter Assignment

Status: Open.

#82 In TinkerTools/poltype2;

· KeitoHASEGAWA opened on Jun 3, 2025

ValueError: Element not allowed! 13

Status: Open.

#81 In TinkerTools/poltype2;

· JunbaoLiang opened on May 30, 2025

Torsion scan skipped in ethanol example despite rotalltors=True in poltype.ini

Status: Open.

#80 In TinkerTools/poltype2;

· KeitoHASEGAWA opened on May 26, 2025

Acceptable Closeness of Fit Between Fit and QM-MM1

Status: Open.

#79 In TinkerTools/poltype2;

· CallumFrEllis opened on May 22, 2025

Request for Poltype 2 Dockerfile

Status: Open.

#73 In TinkerTools/poltype2;

· mmagithub opened on Feb 28, 2025

Parameters for isotopes

Status: Open.

#72 In TinkerTools/poltype2;

· heman3333 opened on Feb 26, 2025

converting Poltype2-generated AMOEBA parameters into standard (non-polarizable) Amber/gromacs files

Status: Open.

#71 In TinkerTools/poltype2;

· mmagithub opened on Feb 25, 2025

missing key6 during the fragment process and Explicit valence for atom # 5 N, 8

Status: Open.

#65 In TinkerTools/poltype2;

· pengacid opened on Jan 6, 2025

How to parameterize the covalently connected organic molecule and residue?

Status: Open.

#63 In TinkerTools/poltype2;

· Cynthia-0807 opened on Dec 10, 2024

Error in 'solvation free energy' (box setting error)

Status: Open.

#61 In TinkerTools/poltype2;

· ru80john opened on Nov 29, 2024

Fragmenter option for generating the parameter

Status: Open.

#56 In TinkerTools/poltype2;

· pradipchm opened on Sep 18, 2024