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Commits on Jun 3, 2024

• removed dependency `mdtraj.utils.six.string_types`.

  thelostscout

  committed
  47b0db8

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• replaced basestring with string

  thelostscout

  committed
  f1d218b

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• Fixed missing mdtraj.utils.six error

  thelostscout

  committed
  390cad1

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Commits on Oct 17, 2022

• Merge pull request #33 from noegroup/ala4

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  invemichele

  authored
  2be2ede

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Commits on Oct 15, 2022

• adding ala4 system

  invemichele

  committed
  5f4e63e

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Commits on Jun 13, 2022

• added option for finding generalized methyl groups (#31)

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  invemichele

  authored
  d2cecc5

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Commits on Apr 26, 2022

• Two peptides (#29)

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  Olllom

  authored
  8f57177

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• Fix terminal torsions and add chi to is_type_torsion (#28)

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  invemichele

  authored
  acb8299

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Commits on Apr 8, 2022

• is_type_torsion (#27)

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  invemichele

  authored
  302466d

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• Merge pull request #26 from noegroup/methyl

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  invemichele

  authored
  ef05deb

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• add is_methyl_torsion

  Olllom

  committed
  137c821

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Commits on Feb 11, 2022

• Download fix (#25)

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  invemichele

  and

  Olllom

  authored
  061526c

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Commits on Jan 26, 2022

• simulation toolchain for OpenMMSystems (#21)

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  Olllom

  authored
  333e2f9

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• Update z_termini.yaml (#23)

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  meyerml

  authored
  a8736bd

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Commits on Nov 25, 2021

• change Z templates to improve decoupling (#19)

  invemichele

  authored
  edc688b

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• add AAA (#20)

  Olllom

  authored
  e9632f2

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Commits on Nov 18, 2021

• chignolin tics

  Olllom

  committed
  df75ee7

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Commits on Nov 17, 2021

• Chirality (#15)

  Olllom

  authored
  3af8147

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Commits on Nov 16, 2021

• added missing __all__ (#16)

  Olllom

  authored
  8b4e724

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Commits on Nov 12, 2021

• Force field and z-matrix tools (#12)

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  Olllom

  and

  invemichele

  authored
  1811466

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• Fastfolders (#13)

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  Olllom

  authored
  4c75c4e

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Commits on Oct 5, 2021

• Bugfix after #9 (#11)

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  Olllom

  authored
  f753284

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• Fix PR #9 (#10)

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  Olllom

  authored
  a756b3d

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Commits on Oct 4, 2021

• remove simtk imports (#9)

  Olllom

  authored
  9f9f170

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Commits on Sep 22, 2021

• Chignolin Fix (#8)

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  Olllom

  authored
  22c5442

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Commits on Jul 9, 2021

• add global z matrix for ala2

  Olllom

  committed
  0667d90

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Commits on Jun 21, 2021

• work in progress

  Olllom

  committed
  29c7857

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Commits on May 10, 2021

• Depend on torchvision (#7)

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  Olllom

  authored
  d7cd04b

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• Add ala2 implicit unconstrained (#6)

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  Olllom

  authored
  9d4ea4f

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Commits on Apr 27, 2021

• restructuring; add chignolin (#5)

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  Olllom

  authored
  b9ed452

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Commits on Apr 21, 2021

• Bugfix Constraints (#4)

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  Olllom

  authored
  4d55dd5

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• improved doc (#3)

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  Olllom

  authored
  99c8928

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• Project forces onto constraints (#2)

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  Olllom

  authored
  197292e

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Commits on Apr 15, 2021

• rename to bgmol (#1)

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  Olllom

  authored
  47d56e2

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Commits on Mar 25, 2021

• bugfixes in zmatrix.py

  Olllom

  committed
  24d5dfd

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