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Python 3.13 support

Status: Open.

#146 In alanwilter/acpype;

· tylerjereddy opened on Jun 3, 2026

[Documentation]: A kind suggestion to make documentation more detailed.

Status: Open.

#144 In alanwilter/acpype;

· DariuszKamil opened on Feb 20, 2026

Error trying to run acpype with mopac

Status: Open.

#139 In alanwilter/acpype;

· gVallverdu opened on Jun 25, 2025

[suggestion] Create separate moleculetype in gromacs topology file for given residue

Status: Open.

#136 In alanwilter/acpype;

· Pippetta87 opened on May 8, 2025

Is it possible in acpype to give a pdb format molecule to antchamber?

Status: Open.

#135 In alanwilter/acpype;

· n-kristovskiy opened on Apr 18, 2025

zero mass and charges in .itp

Status: Open.

#132 In alanwilter/acpype;

· BerAnton opened on Feb 13, 2025

abcg2 partial charges calculation method in acpype

Status: Open.

#129 In alanwilter/acpype;

· yel21 opened on Jan 7, 2025

Make ACPYPE able to handle non-ascii headers in PDB files

Status: Open.

#128 In alanwilter/acpype;

· alanwilter opened on Dec 2, 2024

Set atom/bond type judge option

Status: Open.

#26 In alanwilter/acpype;

· mquevill opened on Mar 31, 2021

Some errors in the resulting topologies after conversion to gmx

Status: Open.

#24 In alanwilter/acpype;

· kaplajon opened on Mar 15, 2021