- 03 Aug, 2019 1 commit
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Andreas Krämer authored
when the number of molecules does not agree with the number of holders.
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- 02 Aug, 2019 1 commit
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Andreas Krämer authored
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- 01 Aug, 2019 1 commit
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peastman authored
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- 31 Jul, 2019 1 commit
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peastman authored
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- 30 Jul, 2019 2 commits
- 29 Jul, 2019 1 commit
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peastman authored
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- 21 Jul, 2019 1 commit
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Jason Swails authored
Don't parse resid, since we don't do anything with it anyway and it is not required to be an integer.
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- 12 Jul, 2019 1 commit
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peastman authored
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- 15 Jun, 2019 1 commit
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huangj authored
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- 06 Jun, 2019 1 commit
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Jing Huang authored
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- 03 Jun, 2019 1 commit
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Diego Prada authored
Adding alternative names of terminal nucleic acids (5' and 3' as DG5 and DG3). Adding alternative names of atoms H2', H2'', H5' and H5'' for nucleic acids.
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- 08 May, 2019 1 commit
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peastman authored
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- 16 Apr, 2019 2 commits
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Peter Eastman authored
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Peter Eastman authored
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- 22 Mar, 2019 1 commit
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tic20 authored
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- 05 Mar, 2019 5 commits
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João Rodrigues authored
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tic20 authored
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João Rodrigues authored
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João Rodrigues authored
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João Rodrigues authored
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- 01 Mar, 2019 1 commit
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João Rodrigues authored
Implemented private _addIons method that improves placement of ions in solvated box, specially for membrane systems
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- 27 Feb, 2019 3 commits
- 26 Feb, 2019 4 commits
- 20 Feb, 2019 1 commit
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tic20 authored
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- 19 Feb, 2019 5 commits
- 18 Feb, 2019 1 commit
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tic20 authored
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- 20 Dec, 2018 2 commits
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peastman authored
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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.
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- 10 Dec, 2018 1 commit
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egallicc authored
* Implementation of OPLS through DMS reader * Improved Implementation of OPLS through DMS reader * raise errors for invalid implicit solvent settings
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- 05 Dec, 2018 1 commit
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peastman authored
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