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Fixes #961 - Shake reports wrong error
2012-06-21
David van der Spoel
Fixes #961 - Shake reports wrong error
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2012-06-16
David van der Spoel
Fixes #882 - looping bug in trxio.c
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2012-04-26
David van der Spoel
Merge "Various improvements to shell code" into release...
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2012-04-02
David van der Spoel
Merge "Improved pdb2gmx error message" into release...
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2012-03-18
David van der Spoel
Merge "Fix typo in Clang CFlags" into release-4-5-patches
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2012-03-09
David van der Spoel
Merge "Improved cryptic error message" into release...
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2012-03-08
David van der Spoel
Merge "Minimal support for Clang" into release-4-5...
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2012-02-25
David van der Spoel
Merge "Minor formatting fixes to .mdp option documentation...
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2012-02-01
David van der Spoel
Merge "Fixed error message to identify the correct...
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2012-02-01
David van der Spoel
Merge "Fixed trjconv -sub" into release-4-5-patches
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2012-02-01
David van der Spoel
Merge "Improved error message" into release-4-5-patches
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2012-01-31
David van der Spoel
Merge "Fix ICC on Windows Build" into release-4-5-patches
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2012-01-20
David van der Spoel
Merge "Fixed timing measurements." into release-4-5...
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2012-01-04
David van der Spoel
Introduced fatal error in grompp for incorrect use...
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2011-09-21
David van der Spoel
Commented out part of this new program that was not...
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2011-09-21
David van der Spoel
Fixed documentation issue described in redmine issue...
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2011-09-21
David van der Spoel
Fixed documentation issue described in redmine issue...
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2011-09-19
David van der Spoel
Fixed compilation issues
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2011-09-19
David van der Spoel
Resolved gerrit issue https://gerrit.gromacs.org/#change,126
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2011-09-13
David van der Spoel
Added warning line.
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2011-07-20
David van der Spoel
Merge branch 'release-4-5-patches' of git@git.gromacs...
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2011-07-20
David van der Spoel
Added initialization of arrays after srenew call.
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2011-07-01
David van der Spoel
Merge branch 'release-4-5-patches' of git@git.gromacs...
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2011-06-10
David van der Spoel
Merge branch 'release-4-5-patches' of git@git.gromacs...
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2011-05-31
David van der Spoel
Further patches to fluctuation code and density of...
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2011-05-31
David van der Spoel
Added quote.
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2011-05-31
David van der Spoel
Merge branch 'release-4-5-patches' of git@git.gromacs...
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2011-05-23
David van der Spoel
Merge branch 'release-4-5-patches' of git@git.gromacs...
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2011-05-23
David van der Spoel
Re-implemented the fluctuation analysis, based on Enthalpy...
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2011-05-07
David van der Spoel
Added computation of A and U.
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2011-05-06
David van der Spoel
Updated, made default tolerance for bisector more stringent...
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2011-05-06
David van der Spoel
Fixed weight functions and added -dump option (hidden...
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2011-05-06
David van der Spoel
Updated. Fixed computation of frequency.
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2011-05-06
David van der Spoel
Merge branch 'release-4-5-patches' of git@git.gromacs...
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2011-05-02
David van der Spoel
Updated the eqn for computing Delta. Now get roughly...
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2011-05-01
David van der Spoel
Multiplied the DoS by the timestep (between frames).
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2011-04-26
David van der Spoel
Updated. Now computes diffusion from the VACF.
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2011-04-23
David van der Spoel
Fixed x-axis to be in reciprocal cm.
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2011-04-23
David van der Spoel
Further updates. Still not perfect.
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2011-04-22
David van der Spoel
Added stuff to compute cP and S. Not complete yet.
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2011-04-21
David van der Spoel
Updated to compute the fluidicity. Added refs for citation.
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2011-04-21
David van der Spoel
First version of a Density of States analysis tool.
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2011-04-10
David van der Spoel
Merge branch 'release-4-5-patches' of git.gromacs.org...
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2011-04-10
David van der Spoel
Added g_hydorder.1 man page.
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2011-04-06
David van der Spoel
Fixed header for gmx_conect_init
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2011-04-04
David van der Spoel
Merge branch 'release-4-5-patches' of git@git.gromacs...
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2011-04-04
David van der Spoel
Removed superfluous file.
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2011-04-04
David van der Spoel
Made new programs compile with gcc -pedantic.
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2011-04-04
David van der Spoel
New entry
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2011-04-04
David van der Spoel
Added 1 analysis tool manual.
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2011-04-04
David van der Spoel
Merge branch 'release-4-5-patches' into orderparm
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2011-04-04
David van der Spoel
Latest fixes from Bjorn Steen Saethre
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2011-03-24
David van der Spoel
Added Bjorn's code, implemented running average filtering.
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2011-03-05
David van der Spoel
Merge branch 'release-4-5-patches' of git@git.gromacs...
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2011-03-05
David van der Spoel
Fixed SEGV in eneconv when using the -e flag.
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2011-01-30
David van der Spoel
Fixed more PBC and indexing stuff.
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2011-01-30
David van der Spoel
Fixed typo.
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2011-01-30
David van der Spoel
Merge branch 'release-4-5-patches' into orderparm
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2011-01-29
David van der Spoel
Merge branch 'release-4-5-patches' of git@git.gromacs...
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2011-01-29
David van der Spoel
Added code in g_nmeig to compute the quantum corrections...
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2011-01-26
David van der Spoel
Merge branch 'release-4-5-patches' of git@git.gromacs...
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2011-01-22
David van der Spoel
Fixed bug 678 which was due to calling gmx_fatal without...
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2010-12-26
David van der Spoel
Merge branch 'release-4-5-patches' of git@git.gromacs...
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2010-12-25
David van der Spoel
Added warning in g_dipoles
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2010-12-23
David van der Spoel
Fixed bug in statistics which did not allow fitting...
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2010-12-11
David van der Spoel
Merge branch 'release-4-5-patches' of git.gromacs.org...
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2010-12-11
David van der Spoel
Added 1 quote.
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2010-12-09
David van der Spoel
Added fatal error for when people use energy files...
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2010-11-28
David van der Spoel
Fixed bugzilla 616 about formatting in the help text.
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2010-11-26
David van der Spoel
Fixed SEGV bug in g_sham.
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2010-11-18
David van der Spoel
Made printing in check_multi_init conditional, depending...
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2010-11-02
David van der Spoel
Fixed bug 608 by throwing a fatal error in grompp.
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2010-10-28
David van der Spoel
Merge branch 'release-4-5-patches' of git.gromacs.org...
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2010-10-08
David van der Spoel
Merge branch 'release-4-5-patches' of git.gromacs.org...
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2010-10-07
David van der Spoel
Fixed compilation issues with C99 compatibility.
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2010-10-07
David van der Spoel
Fixes and small additions to g_wham, due to Jochen...
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2010-09-28
David van der Spoel
Re-added g_kinetics to src/tools/Makefile.am
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2010-09-25
David van der Spoel
Added software-related quote
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2010-09-24
David van der Spoel
Updated to reflect bug 557.
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2010-09-20
David van der Spoel
Merge branch 'release-4-5-patches' of git@git.gromacs...
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2010-09-20
David van der Spoel
Fixed bug http://bugzilla.gromacs.org/show_bug.cgi...
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2010-09-16
David van der Spoel
Corrected name of one of the developers listed in header.
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2010-09-14
David van der Spoel
Fixed bug 553 by checking whether an atom name is longer...
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2010-09-12
David van der Spoel
Fixed demo to work with new pdb2gmx that requires two...
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2010-08-25
David van der Spoel
Made genrestr -constr to produce constraints of type...
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2010-08-22
David van der Spoel
Fixed bug 417.
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2010-08-19
David van der Spoel
Fixes more misery in function skipstr, where pointers...
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2010-08-19
David van der Spoel
Added two missing include files. Fixed horrible coding...
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2010-08-04
David van der Spoel
Fixed reuse of variable as temp variable before printing...
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2010-08-03
David van der Spoel
Fixed bug 487 according to provided patch.
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2010-08-03
David van der Spoel
Fixed documentation text according to bugzilla 486
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2010-08-01
David van der Spoel
Merge branch 'release-4-5-patches' of git.gromacs.org...
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2010-08-01
David van der Spoel
Moved pdb2top.h from src/kernel to include to allow...
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2010-07-31
David van der Spoel
Renamed typename to my_typename in index.c since typename...
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2010-07-15
David van der Spoel
Fixed compilation issue corresponding to bug 468
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2010-07-14
David van der Spoel
Fixed bug 467 realting to pdb2gmx output of the water...
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2010-07-14
David van der Spoel
Added citation for scattering factors. Used in g_rdf...
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2010-07-14
David van der Spoel
Added more atoms to the scattering factor data file.
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2010-07-14
David van der Spoel
Fixed bug 462. pdb2gmx should now produce the correct...
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2010-07-13
David van der Spoel
Fixed bug 466 by commenting out the offending lines...
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