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TIP4P-Ew water causes invalid -1-index ExtraPoint in bond partners, breaking rediscover_molecules in _amberparm.py

#1407

· njweiss4 opened

on Jun 10, 2025

NumPy 2.3 breaks things

#1406

· mattwthompson opened

on Jun 9, 2025

Insertion code not being saved for CHARMM PSF file save.

#1405

· rladbtls1998 opened

on May 13, 2025

PARM7: error reading bond number <number> after conversion from PSF to PARM7

#1404

· satyajitkhatua09 opened

on May 9, 2025

Issue handling 1-4 scaling when trying to convert Lipids21 into ffxml format for openMM

#1403

· Nithishwer opened

on May 6, 2025

saving prmtop with box dimensions

#1402

· samcphee opened

on Mar 30, 2025

Regarding GROMACS to AMBER topology conversion using ParmED for amyloid fibril

#1401

· SoumyaCYZ opened

on Mar 29, 2025

Different non-bonded energies between ParmEd and OpenMM PSF+PRM readers

#1399

· stefdoerr opened

on Mar 6, 2025

LocalCoordinateSite setup creates circular definition for colinear virtual sites

#1398

· stefdoerr opened

on Mar 5, 2025

ParmEd OpenMM FFXML writer doesn't correctly handle patches that can modify residues in multiple ways

#1397

· epretti opened

on Feb 28, 2025

Integral net charge check for patching is incompatible with CHARMM36 nucleic acid FF

#1396

· epretti opened

on Feb 28, 2025

Issues in parsing CHARMM topology/parameter files

#1395

· epretti opened

on Feb 28, 2025

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