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Commits on Aug 5, 2013

• 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
  74cd272

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• Update CHANGELOG and version number

  

  Konrad Hinsen

  committed
  01f8420

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Commits on May 24, 2013

• Fix docstring

  

  Konrad Hinsen

  committed
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• Remove long delays when deallocating thread-based energy evaluators

  

  Konrad Hinsen

  committed
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Commits on Mar 12, 2013

• More pdb_alternative atom names: GROMACS-style OC1/OC2 in C-terminal peptide group

  

  Konrad Hinsen

  committed
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Commits on Feb 16, 2013

• Script that was used to add amber12_atom_type to all groups

  

  Konrad Hinsen

  committed
  9c7f7d8

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• Compile C versions of extension modules if Cython is not installed

  

  Konrad Hinsen

  committed
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Commits on Dec 19, 2012

• Make Amber file parser more tolerant to accept mode mod_files

  

  Konrad Hinsen

  committed
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Commits on Oct 23, 2012

• Allow a Collection to be constructed from a generator

  

  Konrad Hinsen

  committed
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Commits on Oct 18, 2012

• Added tag rel2.7.8 for changeset b19ed03a1897

  

  Konrad Hinsen

  committed
  8b10131

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• Update version number and CHANGELOG

  

  Konrad Hinsen

  committed
  7847260

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• Make MMForceField usable directly, without subclassing

  

  Konrad Hinsen

  committed
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Commits on Oct 17, 2012

• Copy some files during build_sphinx such that it works before installation

  

  Konrad Hinsen

  committed
  87af799

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• Version number

  

  Konrad Hinsen

  committed
  0e37184

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Commits on Oct 15, 2012

• Avoid restraint_test failure on some Linux systems

  

  Konrad Hinsen

  committed
  6c0a670

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Commits on Oct 10, 2012

• Allow collections to be used in HarmonicDistanceTerm() and in universe.distance()

  

  Konrad Hinsen

  committed
  36d79ce

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Commits on Aug 16, 2012

• Added tag rel2.7.7 for changeset 5c1df96de407

  

  Konrad Hinsen

  committed
  2a13c65

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• Update version number and CHANGELOG

  

  Konrad Hinsen

  committed
  aafb7a1

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• Improvements to the visualization interface

  Show description for 3496319
  

  Konrad Hinsen

  committed
  3496319

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Commits on Aug 2, 2012

• Fix crash when opening trajectories with universes containing restraint terms

  

  Konrad Hinsen

  committed
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Commits on Jul 18, 2012

• Merged branch new_amber_ff

  

  Konrad Hinsen

  committed
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• Optional nonbonded exlusion for harmonic distance restraints

  

  Konrad Hinsen

  committed
  fc65466

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• Implemented a more general force field dependency management system

  

  Konrad Hinsen

  committed
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Commits on Jul 13, 2012

• Fixes and updates to the documentation

  

  Konrad Hinsen

  committed
  e21ea47

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• Code cleanup: removed unused variables

  

  Konrad Hinsen

  committed
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Commits on Jul 11, 2012

• Set version number to 2.7.7a

  

  Konrad Hinsen

  committed
  d552e61

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• Add Amber12SB to the list of supported force fields

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  Konrad Hinsen

  committed
  4be94ad

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• More flexible interpretation of dihedral parameter lines, required to parse frcmod.ff12SB

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  Konrad Hinsen

  committed
  27ffa2d

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• Fixed typo

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  Konrad Hinsen

  committed
  44545ea

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• Added amber12_atom_type to the group definition that had no modifications

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  Konrad Hinsen

  committed
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• Added atom types modified in Amber12

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  Konrad Hinsen

  committed
  b05e3df

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• Add ff12 files and more ff99 mod files

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  Konrad Hinsen

  committed
  44e086f

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• Fix filename for OPLS parameter file

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  Konrad Hinsen

  committed
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