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Fix shared libs for Mingw
2014-06-29
Rossen Apostolov
Use cosistent style when referring to force fields.
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2014-06-27
Rossen Apostolov
Changed linking order to make Extrae work.
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2014-06-27
Rossen Apostolov
Added information about dihedral restraints.
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2014-06-27
Rossen Apostolov
Remove install_manifest.txt during make clean.
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2014-06-24
Rossen Apostolov
Extend version checking/warnings for checkpoint continuation
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2014-06-23
Rossen Apostolov
Added tip5p to the list of watermodels in some FF.
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2014-06-22
Rossen Apostolov
More clear message for undefined pullgroups.
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2014-06-20
Rossen Apostolov
Fixed typo in oplsaa ASPH charges.
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2014-06-20
Rossen Apostolov
Removed unused parameters and cleanup of inputrec.
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2014-06-19
Rossen Apostolov
Small typos in surface tension description.
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2014-06-18
Rossen Apostolov
Added reference to cmap in pdb2gmx.
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2014-06-17
Rossen Apostolov
Small changes in appendix A of the manual.
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2014-06-14
Rossen Apostolov
Added tip5pe water model to oplsa.
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2014-06-12
Rossen Apostolov
Cleanup environment variables.
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2014-06-11
Rossen Apostolov
Mapped HIS1 to HSD in charmm27.
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2014-06-10
Rossen Apostolov
Print in higher precision repl_ex timestep.
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2014-06-09
Rossen Apostolov
Issue a warning for using gmx_rms -prev with large...
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2014-06-09
Rossen Apostolov
Install libraries in correct directories on multiarch...
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2014-06-09
Rossen Apostolov
Fixed typo in description of conversion factors.
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2014-06-04
Rossen Apostolov
Updated C-/N-terminal partial charges in Amber03.ff.
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2014-05-24
Rossen Apostolov
Simplified section "Porting".
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2014-05-24
Rossen Apostolov
Allow trjconv to keep some box dimensions unchanged.
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2014-05-22
Rossen Apostolov
Normal modes don't work currently with virtual sites...
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2014-05-20
Rossen Apostolov
Added a note about using direction-periodic pulling.
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2014-05-20
Rossen Apostolov
Added a note about unsupported Verlet cutoff + Buckingham.
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2014-03-31
Rossen Apostolov
Added CMake support for Extrae.
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2014-03-17
Rossen Apostolov
Cleaned up endif/else-s in CMakeLists.txt and *.cmake...
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2014-03-11
Rossen Apostolov
Removed .itp files from top level directory.
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2014-03-06
Rossen Apostolov
Removed the deprecated gmx.ff and gmx2.ff.
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2014-02-23
Rossen Apostolov
Removed deprecated Encad FF.
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2014-02-20
Rossen Apostolov
Rename ffopen and ffclose to gmx_ff*.
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2014-01-30
Rossen Apostolov
Removed ions.itp from GMX/share/top directory.
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2014-01-28
Rossen Apostolov
Bump own fftw build to version 3.3.3
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2014-01-21
Rossen Apostolov
Fixed wrong message when building own FFTW.
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2013-11-28
Rossen Apostolov
Updated to gmock-1.7.0
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2011-11-25
Rossen Apostolov
Added support for submission to cdash servers.
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2011-09-27
Rossen Apostolov
Merge "Removed CMake warning for recent OpenMPI versions...
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2011-09-21
Rossen Apostolov
Updated version: now 4.6
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2011-09-20
Rossen Apostolov
New release: 4.5.5
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2011-09-19
Rossen Apostolov
Merge "Resolved gerrit issue https://gerrit.gromacs...
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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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2011-09-16
Rossen Apostolov
Merge "g_wham: fixed pullx.xvg reading issue with pull_geome...
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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
Rossen Apostolov
Merge "Fixes for CMake finding FORTRAN library names...
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2011-09-09
Rossen Apostolov
Added support for custom external BLAS/LAPACK libraries.
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2011-05-18
Rossen Apostolov
Fixed g_tcaf citation in html docs
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2011-03-21
Rossen Apostolov
New maintenance release: 4.5.4
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2011-03-21
Rossen Apostolov
Fixed more real/double issues in gmx_density
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2011-03-21
Rossen Apostolov
Removed duplicated EXTRA_DIST entry in src/tools/Makefiles.am
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2011-03-21
Rossen Apostolov
Added back Template.mak.
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2011-03-21
Rossen Apostolov
Removed some template files from installation.
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2011-03-14
Rossen Apostolov
g_options source files are now properly packaged
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2010-12-16
Rossen Apostolov
Another test commit
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2010-12-15
Rossen Apostolov
Test commit
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2010-11-09
Rossen Apostolov
New maintanance release: 4.5.3
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2010-11-08
Rossen Apostolov
Reverting back GMX_DLOPEN to default ON
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2010-11-08
Rossen Apostolov
Disable GMX_DLOPEN by default.
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2010-11-08
Rossen Apostolov
Added support for Altivec kernels on POWERPC.
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2010-10-30
Rossen Apostolov
Added back the "-dev" suffixes to the version strings.
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2010-10-30
Rossen Apostolov
New bugfix release: 4.5.2
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2010-10-30
Rossen Apostolov
For MPI builds, CMake will first try to compile a sample...
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2010-10-29
Rossen Apostolov
added g_kinetics to the CMake build scripts
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2010-09-25
Rossen Apostolov
Reverted changes to md_openmm.c, get rid of 'nan' in...
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2010-09-25
Rossen Apostolov
mdrun-gpu now doesn't output individual energy term...
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2010-09-21
Rossen Apostolov
Fixed missing installation of the openmm_api_wrapper...
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2010-09-20
Rossen Apostolov
Added do_multiprot in src/contrib, thanks to Ran Friedman
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2010-09-13
Rossen Apostolov
Added dependencies for openmm_api_wrapper
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2010-09-13
Rossen Apostolov
Added library dependency for gmx_gpu_utils
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2010-09-07
Rossen Apostolov
Merge branch 'release-4-5-patches'
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2010-09-06
Rossen Apostolov
Added a note that running in double precision is slower.
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2010-09-06
Rossen Apostolov
A lot of CMake options are now marked as advanced since...
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2010-09-02
Rossen Apostolov
Another missing CMake file.
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2010-09-02
Rossen Apostolov
Merge branch 'release-4-5-patches'
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2010-09-02
Rossen Apostolov
Updated the version numbers to 4.5.1.
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2010-09-02
Rossen Apostolov
Added for distribution missing CMake specific files.
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2010-09-01
Rossen Apostolov
New release: 4.5 (final). Yay!!!
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2010-09-01
Rossen Apostolov
Added g_rmsdist and g_rotmat to the CMake build system
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2010-09-01
Rossen Apostolov
Small update of the GPU related documentation.
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2010-09-01
Rossen Apostolov
Small update of the GPU related documentation.
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2010-09-01
Rossen Apostolov
Merge branch 'release-4-5-patches' of git.gromacs.org...
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2010-09-01
Rossen Apostolov
Merge branch 'release-4-5-patches' of git.gromacs.org...
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2010-08-31
Rossen Apostolov
Merge branch 'release-4-5-patches' of git.gromacs.org...
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2010-08-31
Rossen Apostolov
OpenMM now accepts cut-off method, since it's needed...
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2010-08-27
Rossen Apostolov
New release 4.5-beta4
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2010-08-26
Rossen Apostolov
Modified the OpenMM wrapper interface to support the...
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2010-08-26
Rossen Apostolov
Added the g_pme_error tool from Florian Dommert. Thanks!
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2010-08-26
Rossen Apostolov
Fixed hardcoded OpenMM library name.
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2010-08-26
Rossen Apostolov
Removed the unnecessary hacks from some boolean statements.
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2010-08-25
Rossen Apostolov
Merge branch 'release-4-5-patches'
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2010-08-25
Rossen Apostolov
Redefine the default boolean type to gmx_bool.
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2010-08-23
Rossen Apostolov
Merge branch 'release-4-5-patches' of git.gromacs.org...
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2010-08-23
Rossen Apostolov
Fixed a typo about non-existing macro in OpenMM
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2010-08-19
Rossen Apostolov
Enable the Reference platform for OpenMM.
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2010-08-18
Rossen Apostolov
Merge branch 'release-4-5-patches' of git.gromacs.org...
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2010-08-18
Rossen Apostolov
Fixed the execution order in OpenMM so that the generated...
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2010-08-18
Rossen Apostolov
Preserve the .pl extentions to scripts.
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2010-08-16
Rossen Apostolov
Removed the nb_kernel4xx_intel_syntax.c entries from...
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2010-08-16
Rossen Apostolov
Added support for improper dihedrals needed for CHARMM...
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2010-08-12
Rossen Apostolov
OpenMM: added support for AmberFF proper/improper torsion...
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