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Commits on Feb 17, 2023

• Update changelog, bump version number

  khinsen

  committed
  e84342f

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• Fix module references

  khinsen

  committed
  14ba686

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Commits on Oct 14, 2020

• Updated installation instructions

  khinsen

  authored
  42c8726

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Commits on Nov 23, 2019

• Add .gitignore

  khinsen

  committed
  0c50b44

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Commits on Nov 19, 2019

• Update CHANGELOG and version number

  khinsen

  committed
  ad97b25

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• Add guix.scm for installation from source

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  khinsen

  committed
  bbbd667

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• Bug fix for BrownianMode

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  khinsen

  committed
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Commits on May 31, 2019

• Add C versions of the Cython modules for easier installation

  khinsen

  committed
  1e37231

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Commits on Jan 23, 2018

• Added tag rel2.7.11 for changeset 8371c56aa360

  

  Konrad Hinsen

  committed
  30bbac4

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• Make random number streams reproducible (fixed seed)

  

  Konrad Hinsen

  committed
  af305dd

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• Add tag for rel2.7.10

  

  Konrad Hinsen

  committed
  594e6aa

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Commits on Dec 15, 2017

• Update CHANGELOG and version number

  

  Konrad Hinsen

  committed
  678892f

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Commits on May 21, 2015

• Amber14SB force field and support for GAFF

  

  Konrad Hinsen

  committed
  0ee33a3

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Commits on May 20, 2015

• Updated parameter files from AmberTools15

  

  Konrad Hinsen

  committed
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Commits on Apr 17, 2015

• Remove multipole remnants

  0

  committed
  b3cea08

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Commits on Apr 10, 2015

• Pull in some changes from path_integrals branch

  0

  committed
  e757aee

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Commits on Oct 30, 2014

• Add ProgressOutput

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  committed
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Commits on Oct 21, 2014

• Remove falign-loops on Mac OS

  0

  committed
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Commits on Sep 15, 2014

• Add a warning about NumPy 1.9

  

  Konrad Hinsen

  committed
  9732a1a

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Commits on Sep 5, 2014

• Avoid Cython pointer declaration warning

  0

  committed
  0b225e6

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Commits on Aug 29, 2014

• Add definition for unprotonated phosphotyrosine

  

  Guillaume Chevrot

  committed
  b175135

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Commits on Aug 27, 2014

• Make TIP3P water usable with Amber12

  

  Konrad Hinsen

  committed
  9db57e3

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Commits on Jun 5, 2014

• Branch merge

  

  Konrad Hinsen

  committed
  51606d4

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Commits on May 29, 2014

• Export Cython pxi files with the headers

  0

  committed
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Commits on Mar 24, 2014

• Example for obtaining partial charges

  

  Konrad Hinsen

  committed
  4a35589

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Commits on Mar 19, 2014

• Maintain residue number when replacing Cys by Cyx

  

  Konrad Hinsen

  committed
  8a4b8cb

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Commits on Mar 7, 2014

• Fix atom type sort for dihedrals with identical central atom types

  

  Konrad Hinsen

  committed
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Commits on Oct 16, 2013

• Preserve residue PDB numbers in nucleotide chains

  

  Konrad Hinsen

  committed
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• Code modernization

  

  Konrad Hinsen

  committed
  3fd45b8

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• Strip off d/r prefix from nucleotide PDB codes

  

  Konrad Hinsen

  committed
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Commits on Sep 3, 2013

• Add CITATION file

  

  Konrad Hinsen

  committed
  81d7162

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Commits on Aug 5, 2013

• Higher float comparison tolerance to make tests pass on some more platforms

  

  Konrad Hinsen

  committed
  417c387

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• Fix a typo with enormous consequences in Units.py

  

  Konrad Hinsen

  committed
  90bf0f3

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Commits on Aug 2, 2013

• Update the physical constants in MMTK.Units to the values from the 2010 CODATA report

  

  Konrad Hinsen

  committed
  72e74a3

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Commits on Jun 14, 2013

• Added tag rel2.7.9 for changeset ad6ad5db2f61

  

  Konrad Hinsen

  committed
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