Issues · jewettaij/moltemplate · GitHub

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Missing -xyz system.xyz in ethylene+bensene_PACKMOL Example

#118

· Dmiliate2 opened

on Jan 24, 2026

Alchemical transformations

#116

· hothello opened

on Nov 21, 2025

Deprecated setup.py install method

#112

· jewettaij opened

on Aug 18, 2025

"No bond types defined" for atoms in OPLSAA (since 2023 update)

#108

· pbriml opened

on Dec 5, 2024

How to extend a force field? (Don't use inheritance)

#103

· scmartin opened

on Oct 10, 2024

issue 'bond atom missing in image check'

#102

· Gonglinquan opened

on Aug 9, 2024

Error: There are no atoms in your system. Suggestions:

#95

· Yong-Q opened

on Nov 9, 2023

Unable to open file "Data Atoms.template" for reading.

#94

· luizpzidoi opened

on Oct 17, 2023

How to change the force-field in an ATB file (to OLPSAA)

#91

· HaoWan321 opened

on Jun 14, 2023

Atom type not found in the oplsaa.lt

#83

· EnthusiasticTeslim opened

on Sep 5, 2022

running moltemplate on large systems is slow and needs a lot of memory

#82

· hnadeem2 opened

on Aug 24, 2022

Help for reading coordinates from pdb files.

#81

· ms123456-TX opened

on Aug 5, 2022