| 2012-01-17 |
Szilard Pall | Fixed timing measurements. |
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| 2012-01-15 |
Christoph Junghans | Merge "Added CMake Toolchain file for BlueGene/P" into... |
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| 2012-01-10 |
Mark Abraham | Fixed use of isfinite and _isfinite |
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| 2012-01-04 |
Christoph Junghans | Merge "Documented the function of g_cluster -cl -noav... |
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| 2012-01-04 |
David van der... | Introduced fatal error in grompp for incorrect use... |
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| 2012-01-04 |
Mark Abraham | Added CMake Toolchain file for BlueGene/P |
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| 2011-12-29 |
Mark Abraham | Documented the function of g_cluster -cl -noav |
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| 2011-12-27 |
Roland Schulz | Merge "Added -dhdl to tpr file list, fixes #855" into... |
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| 2011-12-20 |
Carsten Kutzner | Added -dhdl to tpr file list, fixes #855 |
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| 2011-12-20 |
Roland Schulz | Merge "Using MinSizeRel configuration and Release targe... |
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| 2011-12-20 |
Roland Schulz | Merge changes Iaf4c56b7,Ibabed87f into release-4-5... |
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| 2011-12-19 |
Christoph Junghans | Set GMX_*_ASM true if GMX_ACCELERATION != auto |
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| 2011-12-15 |
Roland Schulz | Using MinSizeRel configuration and Release target on... |
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| 2011-12-15 |
Roland Schulz | Testing external BLAS/LAPACK |
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| 2011-12-15 |
Roland Schulz | Using 2 cores per build on Windows |
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| 2011-12-14 |
Roland Schulz | Merge "Re-fixed static linking of maths libraries under... |
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| 2011-12-14 |
Mark Abraham | Re-fixed static linking of maths libraries under UNIX |
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| 2011-12-13 |
Roland Schulz | Merge "Relaxed some assumptions about trajectory times... |
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| 2011-12-13 |
Mark Abraham | Relaxed some assumptions about trajectory times |
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| 2011-12-11 |
Roland Schulz | Merge "Set -DMPI only if compiled for FAH" into release... |
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| 2011-12-11 |
Roland Schulz | Set -DMPI only if compiled for FAH |
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| 2011-12-11 |
Roland Schulz | Fixing MSVC unsigned/signed warnings |
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| 2011-12-10 |
Roland Schulz | Run tests also on Windows |
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| 2011-12-09 |
Roland Schulz | Only check those atoms for PBC which are part of select... |
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| 2011-12-08 |
Roland Schulz | Merge "Fix selection parsing in double precision."... |
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| 2011-12-08 |
Roland Schulz | Merge "Avoid possible warnings if HUGE_VAL != infinity... |
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| 2011-12-03 |
Roland Schulz | Adding support for Windows build and different CMake... |
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| 2011-12-01 |
Teemu Murtola | Fix selection parsing in double precision. |
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| 2011-12-01 |
Teemu Murtola | Avoid possible warnings if HUGE_VAL != infinity. |
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| 2011-11-30 |
Roland Schulz | Adding Gerrit Build description |
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| 2011-11-30 |
Roland Schulz | Removing TestBuildAll test |
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| 2011-11-28 |
Roland Schulz | Fix FFTW API usage |
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| 2011-11-27 |
Roland Schulz | Merge "Initialize variables to make GCC 4.6 not complai... |
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| 2011-11-27 |
Berk Hess | fixed pull constraint periodicity consistency check... |
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| 2011-11-24 |
Roland Schulz | Initialize variables to make GCC 4.6 not complain |
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| 2011-11-24 |
Mark Abraham | Only analyse angle transitions for dihedral angles |
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| 2011-11-24 |
Roland Schulz | Merge "Fixed g_angle -f -or to copy times from -f to... |
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| 2011-11-24 |
Mark Abraham | Added protective preprocessor directives |
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| 2011-11-23 |
Mark Abraham | Fixed g_angle -f -or to copy times from -f to -or |
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| 2011-11-22 |
Carsten Kutzner | Actually -cpi and -bcpo must not be identical |
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| 2011-11-15 |
Berk Hess | fixed dd load print frequency with nsteps=-1, fixes... |
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| 2011-11-08 |
Christoph Junghans | Merge "Fixed bug #830 (segv in do_dssp)" into release... |
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| 2011-11-08 |
Kasson | Merge "Fix for GB, double, SSE2 and optimized kernels... |
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| 2011-11-02 |
Mark Abraham | Fix for GB, double, SSE2 and optimized kernels |
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| 2011-11-01 |
Mark Abraham | Trigger correct kernels under Cygwin |
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| 2011-10-31 |
Carsten Kutzner | Fixed bug #830 (segv in do_dssp) |
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| 2011-10-27 |
Mark Abraham | Made reading of binary matrices more robust |
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| 2011-10-20 |
Christoph Junghans | Merge "Fixes for GB kernel" into release-4-5-patches |
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| 2011-10-19 |
Teemu Murtola | Merge "fixed pull constraining doing nothing, fixes... |
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| 2011-10-19 |
Mark Abraham | Corrected charge of CHARMM zinc ion to +2 |
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| 2011-10-14 |
Roland Schulz | call to gmx_mtop_generate_local_top is only required... |
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| 2011-10-13 |
Berk Hess | fixed pull constraining doing nothing, fixes #825 |
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| 2011-10-06 |
Berk Hess | fixed segv in parallel replica exchange |
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| 2011-10-06 |
Mark Abraham | Removed erroneous use of MASSV on BlueGene |
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| 2011-10-06 |
Mark Abraham | Fixes for GB kernel |
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| 2011-09-27 |
Mark Abraham | Added tip for converting .xpm to something useful |
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| 2011-09-27 |
Rossen Apostolov | Merge "Removed CMake warning for recent OpenMPI version... |
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| 2011-09-26 |
Mark Abraham | Dropped some hints in the documentation |
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| 2011-09-26 |
Mark Abraham | Removed CMake warning for recent OpenMPI versions |
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| 2011-09-21 |
David van der... | Commented out part of this new program that was not... |
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| 2011-09-21 |
David van der... | Fixed documentation issue described in redmine issue... |
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| 2011-09-21 |
David van der... | Fixed documentation issue described in redmine issue... |
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| 2011-09-20 |
Rossen Apostolov | New release: 4.5.5 |
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| 2011-09-19 |
Justin A. Lemkul | Fixed typos in documentation. |
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| 2011-09-19 |
Sander Pronk | C89 fixes. |
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| 2011-09-19 |
David van der... | Fixed compilation issues |
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| 2011-09-19 |
Rossen Apostolov | Merge "Resolved gerrit issue https://gerrit.gromacs... |
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| 2011-09-19 |
David van der... | Resolved gerrit issue https://gerrit.gromacs.org/#chang... |
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| 2011-09-19 |
Rossen Apostolov | Added support for g_dos, g_hydorder and g_densorder... |
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| 2011-09-19 |
Rossen Apostolov | Fixed a bug in egbOBC and double precission. |
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| 2011-09-19 |
Berk Hess | added grompp check for posres+pcoupl+refcoord_scaling=no |
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| 2011-09-16 |
Rossen Apostolov | Merge "g_wham: fixed pullx.xvg reading issue with pull_... |
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| 2011-09-16 |
Erik Lindahl | Merge "made allocation for LINCS with particle decompos... |
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| 2011-09-16 |
Jochen Hub | g_wham: fixed pullx.xvg reading issue with pull_geometr... |
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| 2011-09-15 |
Berk Hess | mdrun -multi -cpi now checks if simulations parts are... |
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| 2011-09-15 |
Berk Hess | Merge "Introduced different options for pdb2gmx termini... |
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| 2011-09-15 |
Mark Abraham | Fix trjconv -sub |
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| 2011-09-15 |
Mark Abraham | Warning about trjconv -sub needing many files open |
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| 2011-09-15 |
Mark Abraham | g_sham -mdata is an input file, not output file |
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| 2011-09-14 |
Mark Abraham | Format warning better |
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| 2011-09-13 |
Rossen Apostolov | Merge "Added warning line." into release-4-5-patches |
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| 2011-09-13 |
Erik Lindahl | Introduced different options for pdb2gmx termini introd... |
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| 2011-09-13 |
Berk Hess | Merge "Fix pdb2gmx -debug and .hdb files" into release... |
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| 2011-09-13 |
Berk Hess | Merge "Fixed charge groups of CHARMM27 DNA/RNA terminal... |
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| 2011-09-13 |
Berk Hess | Merge "Added ACE and CT3 to CHARMM27 aminoacids.rtp... |
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| 2011-09-13 |
David van der... | Added warning line. |
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| 2011-09-13 |
Erik Lindahl | Fixed incorrection AmberGS force field (redmine #728) |
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| 2011-09-13 |
Roland Schulz | Merge "fixed grompp issue with decoupling and virtual... |
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| 2011-09-13 |
Rossen Apostolov | Merge "Fixes for CMake finding FORTRAN library names... |
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| 2011-09-13 |
Berk Hess | Merge "Remove segv in xpm2ps, fixes #611" into release... |
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| 2011-09-13 |
Berk Hess | fixed grompp issue with decoupling and virtual sites |
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| 2011-09-13 |
Mark Abraham | Fix pdb2gmx -debug and .hdb files |
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| 2011-09-13 |
Mark Abraham | Fix for CMake finding LAPACK |
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| 2011-09-13 |
Mark Abraham | Added ACE and CT3 to CHARMM27 aminoacids.rtp |
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| 2011-09-13 |
Mark Abraham | Fixed charge groups of CHARMM27 DNA/RNA terminal H |
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| 2011-09-13 |
Mark Abraham | Fixes for CMake finding FORTRAN library names on POWER6 |
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| 2011-09-09 |
Rossen Apostolov | Added support for custom external BLAS/LAPACK libraries. |
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| 2011-09-06 |
Mark Abraham | Fix bug with large ints without MPI_IN_PLACE |
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| 2011-09-05 |
Berk Hess | made allocation for LINCS with particle decomposition... |
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| 2011-09-05 |
Michael Shirts | Merge "fixed incorrect pV term in the energy file"... |
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