BioD PNPI Git Repos - alexxy/gromacs.git/shortlog

biod.pnpi.spb.ru / alexxy / gromacs.git / shortlog

2011-08-25	Carsten Kutzner	Instead of a segv, mdrun now gives an error msg if...	commit \| commitdiff \| tree \| snapshot
2011-08-23	Roland Schulz	Merge "Fixed g_disre dereferencing cr" into release...	commit \| commitdiff \| tree \| snapshot
2011-08-23	Roland Schulz	Merge "Typo fix" into release-4-5-patches	commit \| commitdiff \| tree \| snapshot
2011-08-23	Roland Schulz	Merge "fixed operation on closed file structure in...	commit \| commitdiff \| tree \| snapshot
2011-08-23	Roland Schulz	Merge "fixed possible infinite loop when reading atom...	commit \| commitdiff \| tree \| snapshot
2011-08-23	Mark Abraham	Fixed g_disre dereferencing cr	commit \| commitdiff \| tree \| snapshot
2011-08-23	Mark Abraham	Typo fix	commit \| commitdiff \| tree \| snapshot
2011-08-22	Berk Hess	fixed operation on closed file structure in gmx_rmsdist...	commit \| commitdiff \| tree \| snapshot
2011-08-22	Berk Hess	fixed possible infinite loop when reading atom types...	commit \| commitdiff \| tree \| snapshot
2011-08-19	Mark Abraham	Explained terminal residues and AMBER in pdb2gmx -h	commit \| commitdiff \| tree \| snapshot
2011-08-16	Mark Abraham	Made free energy perturbation work with CMAP	commit \| commitdiff \| tree \| snapshot
2011-08-15	Berk Hess	fixed incorrect pointer assignment in g_protonate	commit \| commitdiff \| tree \| snapshot
2011-08-12	Berk Hess	implemented full exclusion support for the charge-group...	commit \| commitdiff \| tree \| snapshot
2011-08-11	Roland Schulz	Merge "removed npmenodes mismatch warning in read_check...	commit \| commitdiff \| tree \| snapshot
2011-08-11	Berk Hess	Merge "Make sure that ftell works correctly for files...	commit \| commitdiff \| tree \| snapshot
2011-08-10	Roland Schulz	Make sure that ftell works correctly for files opened...	commit \| commitdiff \| tree \| snapshot
2011-08-10	Berk Hess	removed npmenodes mismatch warning in read_checkpoint...	commit \| commitdiff \| tree \| snapshot
2011-08-10	Berk Hess	removed fatal_error for prime number of nodes when...	commit \| commitdiff \| tree \| snapshot
2011-08-03	Mark Abraham	Fixed output bug in demux.pl	commit \| commitdiff \| tree \| snapshot
2011-08-02	Carsten Kutzner	Typo.	commit \| commitdiff \| tree \| snapshot
2011-08-02	Berk Hess	made trjconv -novel work again, fixes #722	commit \| commitdiff \| tree \| snapshot
2011-07-29	Carsten Kutzner	Fixed calculation of max and min number of PME-only...	commit \| commitdiff \| tree \| snapshot
2011-07-22	Michael Shirts	number of degrees of freedom can be fractional -- in...	commit \| commitdiff \| tree \| snapshot
2011-07-20	Justin A. Lemkul	Removed jargon and abbreviations from pdb2gmx.	commit \| commitdiff \| tree \| snapshot
2011-07-20	David van der...	Merge branch 'release-4-5-patches' of git@git.gromacs...	commit \| commitdiff \| tree \| snapshot
2011-07-20	David van der...	Added initialization of arrays after srenew call.	commit \| commitdiff \| tree \| snapshot
2011-07-17	Mark Abraham	Streamlined small part of pdb2gmx	commit \| commitdiff \| tree \| snapshot
2011-07-15	Mark Abraham	Reading a .g96 trajectory now causes fatal error	commit \| commitdiff \| tree \| snapshot
2011-07-13	Berk Hess	fixed div by 0 in compute_io, fixes #778	commit \| commitdiff \| tree \| snapshot
2011-07-11	Carsten Kutzner	Added two missing headers	commit \| commitdiff \| tree \| snapshot
2011-07-11	Mark Abraham	Fix some identifier naming issues in last commit	commit \| commitdiff \| tree \| snapshot
2011-07-11	Mark Abraham	Avoided some integer overflows	commit \| commitdiff \| tree \| snapshot
2011-07-08	Mark Abraham	Clarified use of OPLS/AA zwitterion termini	commit \| commitdiff \| tree \| snapshot
2011-07-08	Mark Abraham	Fixed improper file close with GB and mdrun -debug	commit \| commitdiff \| tree \| snapshot
2011-07-08	Mark Abraham	Made pdb2gmx error message less cryptic	commit \| commitdiff \| tree \| snapshot
2011-07-06	Carsten Kutzner	Added globsig.h to include/types/Makefile.am	commit \| commitdiff \| tree \| snapshot
2011-07-01	David van der...	Merge branch 'release-4-5-patches' of git@git.gromacs...	commit \| commitdiff \| tree \| snapshot
2011-07-01	Christoph Junghans	dl lib was missing in libgmx.pc if GMX_DLOPEN is enabled	commit \| commitdiff \| tree \| snapshot
2011-07-01	Justin A. Lemkul	Fixed PME citation.	commit \| commitdiff \| tree \| snapshot
2011-06-29	Justin A. Lemkul	Fixes for g_bar output. Units are now correct.	commit \| commitdiff \| tree \| snapshot
2011-06-29	Mark Abraham	Revert "draft"	commit \| commitdiff \| tree \| snapshot
2011-06-29	Mark Abraham	Improved error message and documentation	commit \| commitdiff \| tree \| snapshot
2011-06-29	Mark Abraham	draft	commit \| commitdiff \| tree \| snapshot
2011-06-23	Berk Hess	tpbconv can now read cpt files, fixes #741	commit \| commitdiff \| tree \| snapshot
2011-06-22	Berk Hess	fixed convergence of multiple pull constraints	commit \| commitdiff \| tree \| snapshot
2011-06-21	Justin A. Lemkul	Fixed typos.	commit \| commitdiff \| tree \| snapshot
2011-06-21	Justin A. Lemkul	Made grompp fatal error a little more explicit.	commit \| commitdiff \| tree \| snapshot
2011-06-21	Mark Abraham	Expanded LINCS warning text	commit \| commitdiff \| tree \| snapshot
2011-06-20	Sander Pronk	Fixed symtab buffer error message.	commit \| commitdiff \| tree \| snapshot
2011-06-16	Christoph Junghans	cmake: rename LIB to GMXLIB to avoid conflict with...	commit \| commitdiff \| tree \| snapshot
2011-06-10	Berk Hess	fixed grompp enx Nose-Hoover Xi reading, fixes #759	commit \| commitdiff \| tree \| snapshot
2011-06-10	David van der...	Merge branch 'release-4-5-patches' of git@git.gromacs...	commit \| commitdiff \| tree \| snapshot
2011-06-09	Justin A. Lemkul	genion and genbox now print in a consistent manner.	commit \| commitdiff \| tree \| snapshot
2011-06-09	Christoph Junghans	Merge branch 'release-4-5-patches' of git://git.gromacs...	commit \| commitdiff \| tree \| snapshot
2011-06-09	Christoph Junghans	Added a comment where bPhobics comes from	commit \| commitdiff \| tree \| snapshot
2011-06-09	Berk Hess	fixed dirrent_t memory allocation issue on Solaris...	commit \| commitdiff \| tree \| snapshot
2011-06-08	Christoph Junghans	removed duplicated bPhobics function (thx to Francois...	commit \| commitdiff \| tree \| snapshot
2011-06-08	Christoph Junghans	cmake: remove selection/test* from gmxlib sources	commit \| commitdiff \| tree \| snapshot
2011-06-08	Sander Pronk	Added support for SunCC on Solaris/SPARC.	commit \| commitdiff \| tree \| snapshot
2011-06-08	Sander Pronk	Adressed over-eager warnings that gcc 4.5 generates.	commit \| commitdiff \| tree \| snapshot
2011-06-08	Justin A. Lemkul	Minor clarifications to g_rotacf help information.	commit \| commitdiff \| tree \| snapshot
2011-06-07	Mark Abraham	Fixed spelling of reproducible	commit \| commitdiff \| tree \| snapshot
2011-05-31	David van der...	Further patches to fluctuation code and density of...	commit \| commitdiff \| tree \| snapshot
2011-05-31	David van der...	Added quote.	commit \| commitdiff \| tree \| snapshot
2011-05-31	David van der...	Merge branch 'release-4-5-patches' of git@git.gromacs...	commit \| commitdiff \| tree \| snapshot
2011-05-30	Carsten Kutzner	Flooding as harm. restraint: Abort when origin position...	commit \| commitdiff \| tree \| snapshot
2011-05-26	Justin A. Lemkul	Fixes to sugar dihedrals.	commit \| commitdiff \| tree \| snapshot
2011-05-23	David van der...	Merge branch 'release-4-5-patches' of git@git.gromacs...	commit \| commitdiff \| tree \| snapshot
2011-05-23	David van der...	Re-implemented the fluctuation analysis, based on Entha...	commit \| commitdiff \| tree \| snapshot
2011-05-18	Rossen Apostolov	Fixed g_tcaf citation in html docs	commit \| commitdiff \| tree \| snapshot
2011-05-17	Berk Hess	fixed minor memory leak with particle decomposition...	commit \| commitdiff \| tree \| snapshot
2011-05-15	Roland Schulz	corrected typo: if(errno=EINVAL)	commit \| commitdiff \| tree \| snapshot
2011-05-12	Berk Hess	removed memory allocation/free during constraining	commit \| commitdiff \| tree \| snapshot
2011-05-11	Mark Abraham	Added reference to g_sas -h	commit \| commitdiff \| tree \| snapshot
2011-05-11	Mark Abraham	Cleaned up g_sas help text	commit \| commitdiff \| tree \| snapshot
2011-05-11	Justin A. Lemkul	Fixed typo.	commit \| commitdiff \| tree \| snapshot
2011-05-10	Justin A. Lemkul	Fixed g_dipoles help description. Fixed spacing and...	commit \| commitdiff \| tree \| snapshot
2011-05-10	Erik Marklund	Merge branch 'release-4-5-patches' of git@git.gromacs...	commit \| commitdiff \| tree \| snapshot
2011-05-10	Erik Marklund	Increased debugging output	commit \| commitdiff \| tree \| snapshot
2011-05-10	Erik Marklund	Fixed long standing bug where the merging resulted...	commit \| commitdiff \| tree \| snapshot
2011-05-09	Mark Abraham	Added hint about calling trjconv more than once	commit \| commitdiff \| tree \| snapshot
2011-05-09	Mark Abraham	Spaced out paragraphs in trjconv help	commit \| commitdiff \| tree \| snapshot
2011-05-07	David van der...	Added computation of A and U.	commit \| commitdiff \| tree \| snapshot
2011-05-06	David van der...	Updated, made default tolerance for bisector more strin...	commit \| commitdiff \| tree \| snapshot
2011-05-06	David van der...	Fixed weight functions and added -dump option (hidden...	commit \| commitdiff \| tree \| snapshot
2011-05-06	David van der...	Updated. Fixed computation of frequency.	commit \| commitdiff \| tree \| snapshot
2011-05-06	David van der...	Merge branch 'release-4-5-patches' of git@git.gromacs...	commit \| commitdiff \| tree \| snapshot
2011-05-05	Erik Lindahl	Merge branch 'release-4-5-patches' of git.gromacs.org...	commit \| commitdiff \| tree \| snapshot
2011-05-05	Erik Lindahl	Update doc to clarify that Amber nucleic params are...	commit \| commitdiff \| tree \| snapshot
2011-05-02	David van der...	Updated the eqn for computing Delta. Now get roughly...	commit \| commitdiff \| tree \| snapshot
2011-05-02	Mark Abraham	Removed duplicate definition of md_print_warning()	commit \| commitdiff \| tree \| snapshot
2011-05-02	Erik Marklund	Commented out re-declaration of md_print_warning()	commit \| commitdiff \| tree \| snapshot
2011-05-02	Erik Marklund	Merge branch 'release-4-5-patches' of git@git.gromacs...	commit \| commitdiff \| tree \| snapshot
2011-05-02	Erik Marklund	removed parentheses that caused problem with openmp	commit \| commitdiff \| tree \| snapshot
2011-05-02	Erik Marklund	Changed isfinite() to combination of isinf() and isnan()	commit \| commitdiff \| tree \| snapshot
2011-05-01	Mark Abraham	Fixed description of .mdp option to "h-bonds"	commit \| commitdiff \| tree \| snapshot
2011-05-01	David van der...	Multiplied the DoS by the timestep (between frames).	commit \| commitdiff \| tree \| snapshot
2011-04-28	Justin A. Lemkul	Small fixes to mdp_opt.html	commit \| commitdiff \| tree \| snapshot
2011-04-26	David van der...	Updated. Now computes diffusion from the VACF.	commit \| commitdiff \| tree \| snapshot
2011-04-23	David van der...	Fixed x-axis to be in reciprocal cm.	commit \| commitdiff \| tree \| snapshot
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