- 06 Aug, 2019 1 commit
-
-
Andreas Krämer authored
-
- 16 Apr, 2019 2 commits
-
-
Peter Eastman authored
-
Peter Eastman authored
-
- 27 Feb, 2019 1 commit
-
-
tic20 authored
-
- 26 Feb, 2019 4 commits
- 20 Feb, 2019 1 commit
-
-
tic20 authored
-
- 19 Feb, 2019 1 commit
-
-
tic20 authored
-
- 18 Feb, 2019 1 commit
-
-
tic20 authored
-
- 05 Dec, 2018 1 commit
-
-
peastman authored
-
- 08 Oct, 2018 1 commit
-
-
peastman authored
-
- 25 Jul, 2018 1 commit
-
-
Sam Delmerico authored
-
- 17 May, 2018 1 commit
-
-
peastman authored
-
- 25 Apr, 2018 1 commit
-
-
peastman authored
-
- 10 Apr, 2018 1 commit
-
-
João Rodrigues authored
-
- 21 Feb, 2018 1 commit
-
-
peastman authored
-
- 15 Feb, 2018 1 commit
-
-
peastman authored
-
- 30 Jan, 2018 1 commit
-
-
peastman authored
-
- 22 Nov, 2017 2 commits
- 19 Nov, 2017 1 commit
-
-
John Chodera authored
Remove optimization to ForceField LennardJonesGenerator that was causing issues with CHARMM conversion
-
- 07 Oct, 2017 1 commit
-
-
peastman authored
-
- 11 Sep, 2017 1 commit
-
-
peastman authored
-
- 15 Aug, 2017 1 commit
-
-
John Chodera authored
-
- 18 Jul, 2017 1 commit
-
-
peastman authored
-
- 19 Jun, 2017 1 commit
-
-
Mohamad Mohebifar authored
-
- 24 May, 2017 1 commit
-
-
Jason Swails authored
There are times when it is helpful to have the energy terms actually added to the System even if that degree of freedom is constrained. Other parsers (notably the Amber parsers) already support this keyword, so add that support to ForceField as well This also replaces some string-based element detection algorithms with whatever the PDB parser does (by comparing directly to atom.element)
-
- 04 May, 2017 3 commits
-
-
Rafal P. Wiewiora authored
-
Rafal P. Wiewiora authored
-
Rafal P. Wiewiora authored
take everything out to a function, RBTorsion and CustomTorsion now use ordering=charmm as their default
-
- 28 Apr, 2017 3 commits
-
-
Rafal P. Wiewiora authored
-
Rafal P. Wiewiora authored
-
Rafal P. Wiewiora authored
-
- 27 Apr, 2017 2 commits
-
-
Rafal P. Wiewiora authored
-
Rafal P. Wiewiora authored
-
- 26 Apr, 2017 2 commits
-
-
Rafal P. Wiewiora authored
-
Rafal P. Wiewiora authored
-
- 20 Apr, 2017 1 commit
-
-
Rafal P. Wiewiora authored
-