- 03 Mar, 2022 1 commit
-
-
Peter Eastman authored
* Ensure bond lengths are set before creating forces that depend on them * Minor formatting
-
- 27 Jan, 2022 1 commit
-
-
Peter Eastman authored
* Reference implementation of computed values for CustomNonbondedForce * CPU implementation of computed values for CustomNonbondedForce * Common implementation of computed values for CustomNonbondedForce * Serialization of computed values * ForceField supports computed values
-
- 05 Nov, 2021 1 commit
-
-
Peter Eastman authored
-
- 29 Oct, 2021 1 commit
-
-
Peter Eastman authored
* Added GLYCAM * Improved tests and documentation * Fixed incorrect external bonds
-
- 26 Oct, 2021 1 commit
-
-
Peter Eastman authored
* Adding support for new AMOEBA features * Support modern method of specifying in-plane angles * Implemented stretch-torsions * Implemented angle-torsions * More AMOEBA fixes * Bug fix * Converted AMOEBA 2018 force field * Added documentation for AMOEBA 2018 * Added a missing file for tests
-
- 09 Sep, 2021 1 commit
-
-
Peter Eastman authored
* Check for keyword args to createSystem() that are never used * Fixed incorrect arguments in test cases
-
- 08 Sep, 2021 1 commit
-
-
Peter Eastman authored
* Created OBC2 that works with current force fields * Created HCT, OBC1, GBn, and GBn2 that works with current force fields * Added documentation for GB models * Updates to documentation and tests based on comments * Added formula for screening parameter
-
- 05 Jul, 2021 1 commit
-
-
Peter Eastman authored
-
- 30 Jun, 2021 1 commit
-
-
Peter Eastman authored
-
- 01 Feb, 2021 1 commit
-
-
Peter Eastman authored
* Top level Python module is now "openmm" * Updated module names in examples * Updated module names in documentation * Updated module in CI scripts * Added deprecation warning
-
- 25 Jan, 2021 1 commit
-
-
Peter Eastman authored
* Made ordering of impropers more deterministic * Fixed typo
-
- 05 Jan, 2021 1 commit
-
-
peastman authored
* Do not alter mass of hydrogens in rigid water * Do not alter mass of hydrogens in rigid water
-
- 15 Jun, 2020 1 commit
-
-
peastman authored
-
- 11 Jun, 2020 1 commit
-
-
peastman authored
-
- 31 Mar, 2020 1 commit
-
-
peastman authored
-
- 17 Jan, 2020 1 commit
-
-
peastman authored
-
- 06 Jan, 2020 1 commit
-
-
John Chodera authored
-
- 04 Jan, 2020 2 commits
-
-
John Chodera authored
-
John Chodera authored
-
- 29 Oct, 2019 1 commit
-
-
peastman authored
-
- 28 Oct, 2019 1 commit
-
-
peastman authored
-
- 08 Aug, 2019 1 commit
-
-
Andreas Krämer authored
-
- 06 Apr, 2018 1 commit
-
-
peastman authored
-
- 21 Feb, 2018 1 commit
-
-
peastman authored
-
- 07 Oct, 2017 1 commit
-
-
peastman authored
-
- 25 May, 2017 1 commit
-
-
Jason Swails authored
-
- 24 May, 2017 2 commits
-
-
Jason Swails authored
-
Jason Swails authored
-
- 20 Apr, 2017 3 commits
-
-
Rafal P. Wiewiora authored
-
Rafal P. Wiewiora authored
-
Rafal P. Wiewiora authored
-
- 14 Apr, 2017 1 commit
-
-
peastman authored
-
- 03 Mar, 2017 1 commit
-
-
Rafal P. Wiewiora authored
-
- 02 Mar, 2017 2 commits
-
-
Rafal P. Wiewiora authored
-
Rafal P. Wiewiora authored
-
- 26 Jan, 2017 1 commit
-
-
Peter Eastman authored
-
- 09 Nov, 2016 1 commit
-
-
peastman authored
-
- 22 Jun, 2016 1 commit
-
-
peastman authored
-
- 31 May, 2016 1 commit
-
-
ChayaSt authored
-
- 07 Apr, 2016 1 commit
-
-
peastman authored
-