2012-11-29 |
Mark Abraham | Update copyright statements and change license to LGPL |
blob | commitdiff | raw |
2010-03-02 |
Roland Schulz | Merge branch 'release-4-0-patches' |
blob | commitdiff | raw | diff to current |
2009-06-04 |
Erik Lindahl | Removed Id tags from master branch since they will... |
blob | commitdiff | raw | diff to current |
2005-03-07 |
spoel | Updated to call a function in respective gmx_ file. |
blob | commitdiff | raw | diff to current |
2005-02-23 |
hess | added a drop option to trjconv |
blob | commitdiff | raw | diff to current |
2004-12-22 |
hess | fixed segv at end of trjconv when -sub was not used... |
blob | commitdiff | raw | diff to current |
2004-12-12 |
spoel | Fixed the -sub option of trjconv. |
blob | commitdiff | raw | diff to current |
2004-12-11 |
spoel | Updated trjconv with new option to dump all clusters... |
blob | commitdiff | raw | diff to current |
2004-10-25 |
hess | finally fixed the problem with -pbc nojump and fitting |
blob | commitdiff | raw | diff to current |
2004-09-06 |
spoel | Replaced the fatal_error routine by a more flexible... |
blob | commitdiff | raw | diff to current |
2004-08-23 |
hess | Removed the static data in pbc_dx by adding a t_pbc... |
blob | commitdiff | raw | diff to current |
2004-01-23 |
lindahl | Fixed inclusion of config.h |
blob | commitdiff | raw | diff to current |
2004-01-23 |
spoel | Included config.h |
blob | commitdiff | raw | diff to current |
2003-11-27 |
hess | fixed uninitialized variables |
blob | commitdiff | raw | diff to current |
2003-11-17 |
spoel | Upped the version to 3.2.0 |
blob | commitdiff | raw | diff to current |
2003-10-14 |
hess | fixed writing of g96 files when no TPS info is present |
blob | commitdiff | raw | diff to current |
2003-10-14 |
hess | removed buggy (and annoying) read of tps from the traje... |
blob | commitdiff | raw | diff to current |
2003-10-02 |
hess | bRmod now has three arguments, so (a-b) mod c uses... |
blob | commitdiff | raw | diff to current |
2003-10-02 |
hess | fixed incorrect code for the -sep option introduced... |
blob | commitdiff | raw | diff to current |
2003-07-24 |
hess | changed fr.time >= tdump-0.5*dt in bDumpFrame to >... |
blob | commitdiff | raw | diff to current |
2003-07-24 |
hess | added comment about g_filter to description |
blob | commitdiff | raw | diff to current |
2003-06-27 |
spoel | Fixed bug in filenm (that wouldn't check whether a... |
blob | commitdiff | raw | diff to current |
2003-05-10 |
spoel | Lots of small changes, anumber of small bug fixes. |
blob | commitdiff | raw | diff to current |
2003-02-24 |
anton | added #define NPA |
blob | commitdiff | raw | diff to current |
2003-02-20 |
spoel | KKK |
blob | commitdiff | raw | diff to current |
2003-02-20 |
anton | added trans fit |
blob | commitdiff | raw | diff to current |
2003-01-22 |
anton | rm_pbc not necessary for -pbc com; updated manpage |
blob | commitdiff | raw | diff to current |
2003-01-21 |
anton | added putting com of residues in box |
blob | commitdiff | raw | diff to current |
2002-11-06 |
lindahl | Partial commit of the project to remove all static... |
blob | commitdiff | raw | diff to current |
2002-10-01 |
anton | put the -ter option back in; now optionally reads TPS... |
blob | commitdiff | raw | diff to current |
2002-05-03 |
spoel | Imporved algorithm for -pbc cluster |
blob | commitdiff | raw | diff to current |
2002-04-25 |
spoel | Added an option to the pbc section: -pbc cluster |
blob | commitdiff | raw | diff to current |
2002-04-24 |
hess | pdb frames are now always surrounded by MODEL with... |
blob | commitdiff | raw | diff to current |
2002-04-02 |
lindahl | Fixed compile-time warnings and made tools compile... |
blob | commitdiff | raw | diff to current |
2002-04-01 |
lindahl | Implemented win32 and cygwin support. |
blob | commitdiff | raw | diff to current |
2002-02-28 |
spoel | Updated print statement. |
blob | commitdiff | raw | diff to current |
2002-02-28 |
spoel | Updated copyrgt |
blob | commitdiff | raw | diff to current |
2002-01-24 |
lindahl | Made large file support more foolproof. |
blob | commitdiff | raw | diff to current |
2002-01-23 |
hess | fixed a bug when fitting, the (in most cases) unitializ... |
blob | commitdiff | raw | diff to current |
2002-01-23 |
hess | updated the description of the -sep option |
blob | commitdiff | raw | diff to current |
2001-07-23 |
lindahl | Reverted files where changes which I apparently overwro... |
blob | commitdiff | raw | diff to current |
2001-07-23 |
lindahl | Fixed several compiler warnings, and a bug in PME that... |
blob | commitdiff | raw | diff to current |
2001-07-12 |
hess | changed time_label to time_unit, added time_label and... |
blob | commitdiff | raw | diff to current |
2001-07-10 |
lindahl | Fixed more compile-time warnings, and changed the exten... |
blob | commitdiff | raw | diff to current |
2001-07-06 |
lindahl | Created final manual pages, html, and completions for... |
blob | commitdiff | raw | diff to current |
2001-05-23 |
anton | added -split to split trajectory into equal-timed chunks |
blob | commitdiff | raw | diff to current |
2001-05-14 |
lindahl | Tagged files with gromacs 3.0 header |
blob | commitdiff | raw | diff to current |
2001-05-09 |
hess | added help for -center |
blob | commitdiff | raw | diff to current |
2001-04-24 |
anton | added etTIME and '%t' label to parse time unit into... |
blob | commitdiff | raw | diff to current |
2001-04-12 |
hess | fixed some problems with preparation of the reference... |
blob | commitdiff | raw | diff to current |
2001-04-04 |
hess | fixed fitting problem, when fit group contains atoms... |
blob | commitdiff | raw | diff to current |
2001-03-08 |
lindahl | Bugfix: the gmx library dir (top) was always set from... |
blob | commitdiff | raw | diff to current |
2000-11-09 |
hess | fixed a crash due to copying velocities which are not... |
blob | commitdiff | raw | diff to current |
2000-11-07 |
hess | added an extra print of the output precision |
blob | commitdiff | raw | diff to current |
2000-11-01 |
anton | added index group to select set of frames to write out |
blob | commitdiff | raw | diff to current |
2000-09-20 |
hess | fixed copying of chain identifiers with indexed output |
blob | commitdiff | raw | diff to current |
2000-08-22 |
lindahl | Fixed gcc compiler warnings |
blob | commitdiff | raw | diff to current |
2000-08-02 |
anton | added -w to view pdb files |
blob | commitdiff | raw | diff to current |
2000-07-25 |
hess | changed some language details in the description |
blob | commitdiff | raw | diff to current |
2000-07-25 |
hess | include/statutil.h |
blob | commitdiff | raw | diff to current |
2000-07-24 |
hess | added prec to t_trxframe, fixed precision of trjconv... |
blob | commitdiff | raw | diff to current |
2000-07-18 |
anton | thanx shoud go to stderr (remains visible when stdout... |
blob | commitdiff | raw | diff to current |
2000-07-18 |
anton | cleaned up pdbio and added model numbering |
blob | commitdiff | raw | diff to current |
2000-07-11 |
hess | fixed g87 writing (yuk) |
blob | commitdiff | raw | diff to current |
2000-06-21 |
hess | changed step numbering to start from 1 |
blob | commitdiff | raw | diff to current |
2000-06-21 |
hess | added step numbering when no steps numbers are present |
blob | commitdiff | raw | diff to current |
2000-05-19 |
hess | changed -timestep from output back to input |
blob | commitdiff | raw | diff to current |
2000-05-10 |
hess | changed the order of the options |
blob | commitdiff | raw | diff to current |
2000-05-10 |
hess | changed -timestep from input time to output time |
blob | commitdiff | raw | diff to current |
2000-05-09 |
hess | removed two useless options |
blob | commitdiff | raw | diff to current |
2000-05-08 |
spoel | Updated comment |
blob | commitdiff | raw | diff to current |
2000-05-02 |
hess | fixed the -sep option |
blob | commitdiff | raw | diff to current |
2000-04-19 |
hess | added -force for copying forces |
blob | commitdiff | raw | diff to current |
2000-03-15 |
hess | added -dt option to PCA_CAN_TIME |
blob | commitdiff | raw | diff to current |
2000-01-31 |
hess | rewrote the trx routines |
blob | commitdiff | raw | diff to current |
2000-01-11 |
anton | clarified 'no frame found' message for -dump |
blob | commitdiff | raw | diff to current |
2000-01-04 |
hess | applied centering before inbox iso after and added... |
blob | commitdiff | raw | diff to current |
1999-12-22 |
hess | initialize x_shift to zero, this prevents random shifts... |
blob | commitdiff | raw | diff to current |
1999-12-22 |
hess | now fully triclinic compatible |
blob | commitdiff | raw | diff to current |
1999-12-02 |
hess | made three different box representations for trjconv |
blob | commitdiff | raw | diff to current |
1999-12-01 |
hess | removed a debug statement |
blob | commitdiff | raw | diff to current |
1999-11-30 |
hess | added a pbc compact option |
blob | commitdiff | raw | diff to current |
1999-11-29 |
hess | made a fatal_error message clearer |
blob | commitdiff | raw | diff to current |
1999-11-03 |
hess | copyrgted |
blob | commitdiff | raw | diff to current |
1999-10-18 |
hess | added trjcat comments |
blob | commitdiff | raw | diff to current |
1999-10-14 |
hess | fixed the trjconv frame count layout |
blob | commitdiff | raw | diff to current |
1999-09-25 |
lindahl | Removed the concatenation code again from trjconv,... |
blob | commitdiff | raw | diff to current |
1999-09-09 |
lindahl | Implemented a fix mode in trjconv that can concatenate... |
blob | commitdiff | raw | diff to current |
1999-09-06 |
hess | fixed the natoms check |
blob | commitdiff | raw | diff to current |
1999-09-01 |
hess | added a check for empty input files |
blob | commitdiff | raw | diff to current |
1999-08-23 |
lindahl | Fixed compiler warnings: |
blob | commitdiff | raw | diff to current |
1999-06-10 |
anton | does hard work for long time: should be nice! |
blob | commitdiff | raw | diff to current |
1999-05-26 |
spoel | fixed some bugs |
blob | commitdiff | raw | diff to current |
1999-05-04 |
anton | removed double definitions from gstat.h |
blob | commitdiff | raw | diff to current |
1999-04-22 |
anton | removed unused vars, fixed bad_formats |
blob | commitdiff | raw | diff to current |
1999-04-12 |
hess | fixed a stupid bug with index writing |
blob | commitdiff | raw | diff to current |
1999-03-31 |
hess | nojump now alsoe uses the tps |
blob | commitdiff | raw | diff to current |
1999-03-30 |
hess | fixed the -pbc option and removed the -z option |
blob | commitdiff | raw | diff to current |
1999-03-20 |
hess | trjconv can now also write g96 |
blob | commitdiff | raw | diff to current |
1999-03-20 |
hess | added a check for index out of range and improved the... |
blob | commitdiff | raw | diff to current |
next |