Commits · v5.0 · M. Eric Irrgang / GROMACS · GitLab

Jun 29, 2014
- Add forgotten licenses to COPYING · b0f08736
  Mark Abraham authored Jun 29, 2014
  View commits for tag v5.0 v5.0
  b0f08736
- Refer to "mixed" precision in user-facing documentation · 8933a4ee
  Mark Abraham authored Jun 28, 2014
  8933a4ee
- Take LJ-PME into account for table spacing · ca308414
  Berk Hess authored Jun 29, 2014
  ca308414
- Fixed free energy with LJ-PME · fc819eee
  Erik Lindahl authored Jun 27, 2014
  fc819eee
- Convert install guide to markdown · ec2c9197
  Mark Abraham authored Jun 05, 2014
  ec2c9197
- Merge "Merge release-4-6 into release-5-0" into release-5-0 · 5ec77f68
  Mark Abraham authored Jun 29, 2014
  
  5ec77f68
- Updated LJ-PME documentation · f2c96a60
  Berk Hess authored Mar 05, 2014
  f2c96a60
- Use cosistent style when referring to force fields. · 2cf6ccda
  Rossen Apostolov authored Jun 19, 2014
  2cf6ccda
- Remove some hardcoded selection string buffers · 29a6c2ff
  Teemu Murtola authored Jun 29, 2014
  29a6c2ff
- Merge release-4-6 into release-5-0 · 46afc296
  Roland Schulz authored Jun 29, 2014
  46afc296
- Fix detection of i386 in tmpi · 5886961e
  Roland Schulz authored Jun 29, 2014
  View commits for tag v4.6.6 v4.6.6
  5886961e
- Enable rtp angle/dihedral entries not connected by bonds · 7ba0a841
  Erik Lindahl authored Jun 24, 2014
  7ba0a841
- Allow printing potential energies to dhdl.xvg file · 8d30e53e
  Michael Shirts authored Nov 30, 2013
  8d30e53e
- Fixes #1532, SEGV in g_current. · 71144d1d
  David van der Spoel authored Jun 28, 2014
  71144d1d
- Merge "Merge branch 'release-4-6' into release-5-0" into release-5-0 · 3b8efded
  Roland Schulz authored Jun 29, 2014
  
  3b8efded
Jun 28, 2014
- Merge branch 'release-4-6' into release-5-0 · 04eef661
  Mark Abraham authored Jun 28, 2014
  04eef661
- Fix error for no 64bit file support · cb3f3130
  Roland Schulz authored Jun 28, 2014
  cb3f3130
- Fixed CMAP generation for alanine dipeptide special residue · 41c86c01
  Erik Lindahl authored Jun 23, 2014
  41c86c01
- Update TNG build system · ef40a754
  Magnus Lundborg authored Jun 23, 2014
  ef40a754
- Use parallel terminology more consistently · d408b617
  Mark Abraham authored May 20, 2014
  d408b617
- Default SD integrator is now sd1 by Nicu Goga · b8a3738b
  ngoga authored Dec 06, 2013
  b8a3738b
- Remove overeager selection index group check · 7a796957
  Teemu Murtola authored Jun 28, 2014
  7a796957
- Another MacOSX rpath fix · 6fdca5f5
  Roland Schulz authored Jun 28, 2014
  6fdca5f5
Jun 27, 2014
- Merge release-4-6 into release-5-0 · 73006fec
  Roland Schulz authored Jun 27, 2014
  73006fec
- Always set b-state posres, even if identical to a-state · 0e80bfd4
  Erik Lindahl authored Jun 20, 2014
  0e80bfd4
- Update g_density to handle bilayers better · ee58a7ba
  Erik Lindahl authored Jun 25, 2014
  ee58a7ba
- Fix LJPME Lorentz-Berthelot combination rules · 79ed2b8e
  Erik Lindahl authored Jun 25, 2014
  79ed2b8e
- Changed linking order to make Extrae work. · 3e4d3540
  Rossen Apostolov authored Jun 12, 2014
  3e4d3540
- Improve PDB I/O (keep occupancy, b-factor, element) · 8a6e4217
  Erik Lindahl authored Jun 21, 2014
  8a6e4217
- Remove obsolete pull-geometry option 'position' from documentation. · 389d1c8a
  Carsten authored Jun 25, 2014
  389d1c8a
- Fix Phi Platform file for MPI · 2257c903
  Roland Schulz authored Jun 25, 2014
  2257c903
- Avoid warnings about coupling when free_energy=no · 57e07079
  Erik Lindahl authored Jun 25, 2014
  57e07079
- Added information about dihedral restraints. · 33003ffc
  Rossen Apostolov authored Jun 17, 2014
  33003ffc
- Remove install_manifest.txt during make clean. · a5554527
  Rossen Apostolov authored Jun 23, 2014
  a5554527
Jun 26, 2014
- Fix Visual Studio Project build · 65a7d58e
  Roland Schulz authored Jun 25, 2014 and Roland Schulz committed Jun 27, 2014
  65a7d58e
- Merge "Merge release-4-6 into release-5-0" into release-5-0 · 0a76c9ca
  Mark Abraham authored Jun 26, 2014
  
  0a76c9ca
- Merge release-4-6 into release-5-0 · b2b95f07
  Roland Schulz authored Jun 23, 2014 and Mark Abraham committed Jun 26, 2014
  b2b95f07
- Fix MacOSX rpath · 4da7409e
  Roland Schulz authored Jun 26, 2014
  4da7409e
Jun 25, 2014
- Updated Amber GBSA parameters · 3c09f4c1
  Erik Lindahl authored Jun 09, 2014
  3c09f4c1
- Make source compile under Linux X32 ABI · 72e3e8f5
  Erik Lindahl authored Jun 23, 2014
  72e3e8f5