- 06 Aug, 2019 1 commit
-
-
Andreas Krämer authored
-
- 05 Aug, 2019 1 commit
-
-
Andreas Krämer authored
-
- 03 Aug, 2019 1 commit
-
-
Andreas Krämer authored
-
- 02 Aug, 2019 1 commit
-
-
Andreas Krämer authored
-
- 01 Aug, 2019 1 commit
-
-
peastman authored
-
- 30 Jul, 2019 1 commit
-
-
peastman authored
-
- 29 Jul, 2019 1 commit
-
-
peastman authored
-
- 12 Jul, 2019 2 commits
- 16 Jun, 2019 1 commit
-
-
huangj authored
-
- 15 Jun, 2019 1 commit
-
-
huangj authored
-
- 14 Jun, 2019 1 commit
-
-
huangj authored
-
- 19 Feb, 2019 3 commits
- 20 Dec, 2018 1 commit
-
-
Jason Swails authored
* Improve vec3 * Added a ``__neg__`` operator overload so that -Vec3(1, 2, 3) returns the same thing as Vec3(-1, -2, -3) * Derived Vec3 from namedtuple instead of tuple. This allows you to access the 3 elements of the vector by name. i.e., vec.x, vec.y, vec.z * Make sure we use floating point division all the time.
-
- 10 Dec, 2018 1 commit
-
-
egallicc authored
* Implementation of OPLS through DMS reader * Improved Implementation of OPLS through DMS reader * raise errors for invalid implicit solvent settings
-
- 01 Aug, 2018 1 commit
-
-
huangj authored
-
- 15 Jun, 2018 1 commit
-
-
Peter Eastman authored
-
- 22 May, 2018 1 commit
-
-
peastman authored
-
- 06 Apr, 2018 1 commit
-
-
peastman authored
-
- 06 Mar, 2018 1 commit
-
-
Sunhwan Jo authored
- Test system is translated to the origin - Energy is computed again after updating Gromacs input to reflect no-cutoff option (rcoulomb = rlist = rvdw = 0.0)
-
- 04 Mar, 2018 1 commit
-
-
Sunhwan Jo authored
-
- 21 Feb, 2018 1 commit
-
-
peastman authored
-
- 04 Dec, 2017 1 commit
-
-
Andrea Rizzi authored
-
- 29 Nov, 2017 1 commit
-
-
peastman authored
-
- 07 Oct, 2017 1 commit
-
-
peastman authored
-
- 26 Sep, 2017 2 commits
-
-
João Rodrigues authored
-
João Rodrigues authored
Changed format to 'pdbx' for consistency within the test framework. Added 'cif' to CMakeLists.txt for correctness for the future
-
- 25 Sep, 2017 1 commit
-
-
João Rodrigues authored
-
- 11 Sep, 2017 1 commit
-
-
peastman authored
-
- 08 Sep, 2017 1 commit
-
-
peastman authored
-
- 25 May, 2017 1 commit
-
-
Jason Swails authored
-
- 24 May, 2017 2 commits
-
-
Jason Swails authored
-
Jason Swails authored
-
- 19 May, 2017 1 commit
-
-
peastman authored
-
- 05 May, 2017 1 commit
-
-
Jason Swails authored
createSystem for both Amber and CHARMM files.
-
- 25 Apr, 2017 1 commit
-
-
peastman authored
-
- 20 Apr, 2017 2 commits
-
-
Rafal P. Wiewiora authored
-
Rafal P. Wiewiora authored
-