Issues

• 1.10 Release?

  leeping/forcebalance#322 · Filter by author chrisjonesBSU opened on Jul 20, 2026

• gmxpath variable ignored for GROMACS >= 5

  leeping/forcebalance#308 · Filter by author FlorianLeidner opened on Feb 17, 2026

• ForceBalance (OpenFF) Changing Charges

  leeping/forcebalance#306 · Filter by author Shahriar-Keshvari opened on Dec 5, 2025

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

  leeping/forcebalance#298 · Filter by author heman3333 opened on May 31, 2024

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

  leeping/forcebalance#297 · Filter by author wasayMudassir opened on May 9, 2024
  1

• ForceBalance is taking very long time over 1 day

  leeping/forcebalance#296 · Filter by author okbckim opened on Jan 21, 2024
  3

• runcuda.sh overwrites environment variables

  leeping/forcebalance#284 · Filter by author lilyminium opened on Jun 14, 2023
  3

• ForceBalance takes really long to complete

  leeping/forcebalance#275 · Filter by author rvkrishnan30 opened on Nov 18, 2022
  2

• Pymbar 4 compatibility

  leeping/forcebalance#260 · Filter by author jthorton opened on Jul 28, 2022
  3

• Computing FD gradient of angle with OpenMM 7.7.0

  leeping/forcebalance#258 · Filter by author SimonBoothroyd opened on May 1, 2022

• (not urgent) single parameter optimization with workers fails

  leeping/forcebalance#244 · Filter by author pavankum opened on Sep 28, 2021
  1

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

  leeping/forcebalance#233 · Filter by author mark-mackey-cresset opened on Aug 23, 2021
  2

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

  leeping/forcebalance#232 · Filter by author bieniekmateusz opened on Aug 20, 2021

• Close files after opening in Molecule

  leeping/forcebalance#212 · Filter by author origamimantis opened on Apr 1, 2021
  2

• Manual Suggestions

  leeping/forcebalance#211 · Filter by author walkerbdev opened on Mar 23, 2021
  6

• Hessian in TorsionTarget?

  leeping/forcebalance#207 · Filter by author mkrompiec opened on Mar 15, 2021
  3

• Add way to check for tinkerpath in enviorment, if masterhost and worker nodes have different tinkerpaths

  leeping/forcebalance#205 · Filter by author walkerbdev opened on Mar 12, 2021
  2

• To-do items for Github Actions CI

  leeping/forcebalance#199 · Filter by author leeping opened on Jan 21, 2021
  1

• Dielectric constant

  leeping/forcebalance#185 · Filter by author Anthoni-Alcaraz opened on Jul 31, 2020

• OpenMM Tabulated Function

  leeping/forcebalance#175 · Filter by author benbattraw opened on Mar 23, 2020

• Resolve namespace conflict between engine and target

  leeping/forcebalance#155 · Filter by author leeping opened on Aug 3, 2019

• TorsionProfile target needs a feature for user-input torsion indices

  leeping/forcebalance#154 · Filter by author leeping opened on Aug 3, 2019

• How to create all.gro

  leeping/forcebalance#143 · Filter by author qasimpars opened on Jun 24, 2019
  1

• Calculation of heats of vaporization & other properties

  leeping/forcebalance#138 · Filter by author leeping opened on Jun 1, 2019

• Update documentation with current python version

  leeping/forcebalance#127 · Filter by author jmaat opened on Dec 19, 2018