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ForceBalance (OpenFF) Changing Charges

Status: Open.

#306 In leeping/forcebalance;

· Shahriar-Keshvari opened on Dec 5, 2025

ValueError: could not convert string to float: 'Polarization'

Status: Open.

#298 In leeping/forcebalance;

· heman3333 opened on May 31, 2024

Encountering error while attempting to fit ab initio data using GROMACS for periodic systems.

Status: Open.

#297 In leeping/forcebalance;

· wasayMudassir opened on May 9, 2024

ForceBalance is taking very long time over 1 day

Status: Open.

#296 In leeping/forcebalance;

· okbckim opened on Jan 21, 2024

runcuda.sh overwrites environment variables

Status: Open.

#284 In leeping/forcebalance;

· lilyminium opened on Jun 14, 2023

ForceBalance takes really long to complete

Status: Open.

#275 In leeping/forcebalance;

· rvkrishnan30 opened on Nov 18, 2022

Pymbar 4 compatibility

Status: Open.

#260 In leeping/forcebalance;

· jthorton opened on Jul 28, 2022

Computing FD gradient of angle with OpenMM 7.7.0

Status: Open.

#258 In leeping/forcebalance;

· SimonBoothroyd opened on May 1, 2022

(not urgent) single parameter optimization with workers fails

Status: Open.

#244 In leeping/forcebalance;

· pavankum opened on Sep 28, 2021

Forcebalance fails to read some xyz files containing coordinates in scientific notation

Status: Open.

#233 In leeping/forcebalance;

· mark-mackey-cresset opened on Aug 23, 2021

Liquid.pdb: Sizes detected: {3, 6} and the PBC

Status: Open.

#232 In leeping/forcebalance;

· bieniekmateusz opened on Aug 20, 2021

Close files after opening in Molecule

Status: Open.

#212 In leeping/forcebalance;

· origamimantis opened on Apr 1, 2021