| 2011-12-19 |
Carsten Kutzner | Enforced rotation |
tree | commitdiff |
| 2011-12-13 |
Roland Schulz | Merge "Converted macro usage for readability" into... |
tree | commitdiff |
| 2011-12-13 |
Mark Abraham | Converted macro usage for readability |
tree | commitdiff |
| 2011-12-12 |
Mark Abraham | Fixed macros that ended in semicolons |
tree | commitdiff |
| 2011-12-11 |
Roland Schulz | Merge release-4-5-patches into release-4-6 |
tree | commitdiff |
| 2011-12-11 |
Roland Schulz | Merge "Set -DMPI only if compiled for FAH" into release... |
tree | commitdiff |
| 2011-12-11 |
Roland Schulz | Fixing MSVC unsigned/signed warnings |
tree | commitdiff |
| 2011-12-09 |
Roland Schulz | Only check those atoms for PBC which are part of select... |
tree | commitdiff |
| 2011-12-08 |
Roland Schulz | Merge "Added an option to easily compile contrib progra... |
tree | commitdiff |
| 2011-12-08 |
Roland Schulz | Merge "Fix selection parsing in double precision."... |
tree | commitdiff |
| 2011-12-08 |
Roland Schulz | Merge "Avoid possible warnings if HUGE_VAL != infinity... |
tree | commitdiff |
| 2011-12-03 |
Roland Schulz | Remove RETSIGTYPE. C89 defines return value to be void. |
tree | commitdiff |
| 2011-12-01 |
Teemu Murtola | Fix selection parsing in double precision. |
tree | commitdiff |
| 2011-12-01 |
Teemu Murtola | Avoid possible warnings if HUGE_VAL != infinity. |
tree | commitdiff |
| 2011-11-30 |
Roland Schulz | Merge "Merge remote-tracking branch 'gerrit/release... |
tree | commitdiff |
| 2011-11-28 |
Roland Schulz | Fix FFTW API usage |
tree | commitdiff |
| 2011-11-27 |
Roland Schulz | Merge "Fixes inconsistent spelling of Git cmake variabl... |
tree | commitdiff |
| 2011-11-27 |
Roland Schulz | Merge remote-tracking branch 'gerrit/release-4-5-patche... |
tree | commitdiff |
| 2011-11-27 |
Roland Schulz | Merge "Replace '_' in all mdp options to '-'" into... |
tree | commitdiff |
| 2011-11-27 |
Roland Schulz | Merge "Cleaning up some bad coding practices" into... |
tree | commitdiff |
| 2011-11-27 |
Roland Schulz | Merge "Initialize variables to make GCC 4.6 not complai... |
tree | commitdiff |
| 2011-11-27 |
Berk Hess | fixed pull constraint periodicity consistency check... |
tree | commitdiff |
| 2011-11-27 |
Roland Schulz | Merge "Added support for submission to cdash servers... |
tree | commitdiff |
| 2011-11-25 |
Roland Schulz | Merge "Changed cryptic variable names" into release-4-6 |
tree | commitdiff |
| 2011-11-25 |
Roland Schulz | Cleaning up some bad coding practices |
tree | commitdiff |
| 2011-11-25 |
Roland Schulz | Fixes inconsistent spelling of Git cmake variables |
tree | commitdiff |
| 2011-11-25 |
Mark Abraham | Changed cryptic variable names |
tree | commitdiff |
| 2011-11-24 |
Roland Schulz | Initialize variables to make GCC 4.6 not complain |
tree | commitdiff |
| 2011-11-24 |
Mark Abraham | Only analyse angle transitions for dihedral angles |
tree | commitdiff |
| 2011-11-24 |
Roland Schulz | Merge "Fixed g_angle -f -or to copy times from -f to... |
tree | commitdiff |
| 2011-11-24 |
Mark Abraham | Added protective preprocessor directives |
tree | commitdiff |
| 2011-11-23 |
Roland Schulz | Added an option to easily compile contrib programs... |
tree | commitdiff |
| 2011-11-23 |
Mark Abraham | Fixed g_angle -f -or to copy times from -f to -or |
tree | commitdiff |
| 2011-11-22 |
Carsten Kutzner | Actually -cpi and -bcpo must not be identical |
tree | commitdiff |
| 2011-11-15 |
Berk Hess | fixed dd load print frequency with nsteps=-1, fixes... |
tree | commitdiff |
| 2011-11-08 |
Christoph Junghans | Merge "Fixed bug #830 (segv in do_dssp)" into release... |
tree | commitdiff |
| 2011-11-08 |
Kasson | Merge "Fix for GB, double, SSE2 and optimized kernels... |
tree | commitdiff |
| 2011-11-02 |
Mark Abraham | Fix for GB, double, SSE2 and optimized kernels |
tree | commitdiff |
| 2011-10-31 |
Carsten Kutzner | Fixed bug #830 (segv in do_dssp) |
tree | commitdiff |
| 2011-10-27 |
Mark Abraham | Made reading of binary matrices more robust |
tree | commitdiff |
| 2011-10-20 |
Alexey Shvetsov | Replace '_' in all mdp options to '-' |
tree | commitdiff |
| 2011-10-20 |
Christoph Junghans | Merge "Changed default value for g_anaeig -last to... |
tree | commitdiff |
| 2011-10-20 |
Christoph Junghans | Merge "Fixes for GB kernel" into release-4-5-patches |
tree | commitdiff |
| 2011-10-20 |
Christoph Junghans | Merge "Add CMakeLists.txt.user to gitignore" into relea... |
tree | commitdiff |
| 2011-10-19 |
Teemu Murtola | Merge "fixed pull constraining doing nothing, fixes... |
tree | commitdiff |
| 2011-10-15 |
Christoph Junghans | Merge "Fixes MPI_GROUP_EMPTY for tMPI" into release-4-6 |
tree | commitdiff |
| 2011-10-14 |
Roland Schulz | call to gmx_mtop_generate_local_top is only required... |
tree | commitdiff |
| 2011-10-13 |
Mark Abraham | Changed default value for g_anaeig -last to -1 |
tree | commitdiff |
| 2011-10-13 |
Berk Hess | fixed pull constraining doing nothing, fixes #825 |
tree | commitdiff |
| 2011-10-11 |
Roland Schulz | Fixes MPI_GROUP_EMPTY for tMPI |
tree | commitdiff |
| 2011-10-06 |
Szilárd Páll | Merge "Removed duplicate CMake functionality" into... |
tree | commitdiff |
| 2011-10-06 |
Berk Hess | fixed segv in parallel replica exchange |
tree | commitdiff |
| 2011-10-06 |
Mark Abraham | Fixes for GB kernel |
tree | commitdiff |
| 2011-10-05 |
Roland Schulz | Only create group if part of load communicator and... |
tree | commitdiff |
| 2011-09-27 |
Mark Abraham | Removed autotools and references to them. |
tree | commitdiff |
| 2011-09-27 |
Rossen Apostolov | Merge "Removed CMake warning for recent OpenMPI version... |
tree | commitdiff |
| 2011-09-26 |
Mark Abraham | Dropped some hints in the documentation |
tree | commitdiff |
| 2011-09-21 |
David van der Spoel | Commented out part of this new program that was not... |
tree | commitdiff |
| 2011-09-21 |
David van der Spoel | Fixed documentation issue described in redmine issue... |
tree | commitdiff |
| 2011-09-21 |
David van der Spoel | Fixed documentation issue described in redmine issue... |
tree | commitdiff |
| 2011-09-19 |
Justin A. Lemkul | Fixed typos in documentation. |
tree | commitdiff |
| 2011-09-19 |
Sander Pronk | C89 fixes. |
tree | commitdiff |
| 2011-09-19 |
David van der Spoel | Fixed compilation issues |
tree | commitdiff |
| 2011-09-19 |
Rossen Apostolov | Merge "Resolved gerrit issue https://gerrit.gromacs... |
tree | commitdiff |
| 2011-09-19 |
David van der Spoel | Resolved gerrit issue https://gerrit.gromacs.org/#chang... |
tree | commitdiff |
| 2011-09-19 |
Rossen Apostolov | Added support for g_dos, g_hydorder and g_densorder... |
tree | commitdiff |
| 2011-09-19 |
Rossen Apostolov | Fixed a bug in egbOBC and double precission. |
tree | commitdiff |
| 2011-09-19 |
Berk Hess | added grompp check for posres+pcoupl+refcoord_scaling=no |
tree | commitdiff |
| 2011-09-16 |
Rossen Apostolov | Merge "g_wham: fixed pullx.xvg reading issue with pull_... |
tree | commitdiff |
| 2011-09-16 |
Erik Lindahl | Merge "made allocation for LINCS with particle decompos... |
tree | commitdiff |
| 2011-09-16 |
Jochen Hub | g_wham: fixed pullx.xvg reading issue with pull_geometr... |
tree | commitdiff |
| 2011-09-15 |
Berk Hess | mdrun -multi -cpi now checks if simulations parts are... |
tree | commitdiff |
| 2011-09-15 |
Berk Hess | Merge "Introduced different options for pdb2gmx termini... |
tree | commitdiff |
| 2011-09-15 |
Mark Abraham | Fix trjconv -sub |
tree | commitdiff |
| 2011-09-15 |
Mark Abraham | Warning about trjconv -sub needing many files open |
tree | commitdiff |
| 2011-09-15 |
Mark Abraham | g_sham -mdata is an input file, not output file |
tree | commitdiff |
| 2011-09-14 |
Mark Abraham | Format warning better |
tree | commitdiff |
| 2011-09-13 |
Rossen Apostolov | Merge "Added warning line." into release-4-5-patches |
tree | commitdiff |
| 2011-09-13 |
Erik Lindahl | Introduced different options for pdb2gmx termini introd... |
tree | commitdiff |
| 2011-09-13 |
Berk Hess | Merge "Fix pdb2gmx -debug and .hdb files" into release... |
tree | commitdiff |
| 2011-09-13 |
Berk Hess | Merge "Fixed charge groups of CHARMM27 DNA/RNA terminal... |
tree | commitdiff |
| 2011-09-13 |
Berk Hess | Merge "Added ACE and CT3 to CHARMM27 aminoacids.rtp... |
tree | commitdiff |
| 2011-09-13 |
David van der Spoel | Added warning line. |
tree | commitdiff |
| 2011-09-13 |
Roland Schulz | Merge "fixed grompp issue with decoupling and virtual... |
tree | commitdiff |
| 2011-09-13 |
Rossen Apostolov | Merge "Fixes for CMake finding FORTRAN library names... |
tree | commitdiff |
| 2011-09-13 |
Berk Hess | Merge "Remove segv in xpm2ps, fixes #611" into release... |
tree | commitdiff |
| 2011-09-13 |
Berk Hess | fixed grompp issue with decoupling and virtual sites |
tree | commitdiff |
| 2011-09-13 |
Mark Abraham | Fix pdb2gmx -debug and .hdb files |
tree | commitdiff |
| 2011-09-06 |
Mark Abraham | Fix bug with large ints without MPI_IN_PLACE |
tree | commitdiff |
| 2011-09-05 |
Berk Hess | made allocation for LINCS with particle decomposition... |
tree | commitdiff |
| 2011-09-05 |
Michael Shirts | Merge "fixed incorrect pV term in the energy file"... |
tree | commitdiff |
| 2011-09-01 |
Mark Abraham | Made grompp note about non-zero charge more useful |
tree | commitdiff |
| 2011-09-01 |
Mark Abraham | Re-implemented generating default protein index groups |
tree | commitdiff |
| 2011-09-01 |
Mark Abraham | Adjusted construction of default index groups |
tree | commitdiff |
| 2011-09-01 |
Mark Abraham | Fixed comment |
tree | commitdiff |
| 2011-08-31 |
Carsten Kutzner | Remove segv in xpm2ps, fixes #611 |
tree | commitdiff |
| 2011-08-29 |
Berk Hess | fixed incorrect pV term in the energy file |
tree | commitdiff |
| 2011-08-25 |
Carsten Kutzner | Instead of a segv, mdrun now gives an error msg if... |
tree | commitdiff |
| 2011-08-23 |
Roland Schulz | Merge "Fixed g_disre dereferencing cr" into release... |
tree | commitdiff |
| 2011-08-23 |
Roland Schulz | Merge "Typo fix" into release-4-5-patches |
tree | commitdiff |
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