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Tons of small fixes to documentation.
[alexxy/gromacs.git]
/
src
/
kernel
/
tpbconv.c
2011-03-23
Justin Lemkul
Tons of small fixes to documentation.
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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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2011-01-23
Mark Abraham
Improved consistency of text style usage
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2011-01-21
Justin Lemkul
More minor formatting/editorial fixes for the manual.
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2010-12-13
Berk Hess
fixed tpbconv time options leading to negative nsteps...
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2010-11-22
Mark Abraham
Added a hint to the documentation for creating .tpr...
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2010-11-12
Mark Abraham
Minor trjconv documentation formatting fix
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2010-08-25
Rossen Apostolov
Redefine the default boolean type to gmx_bool.
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2010-06-27
Michael Shirts
Merge branch 'master' of git@git.gromacs.org:gromacs
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2010-06-24
Szilard Pall
Merge branch 'master' of git@git.gromacs.org:gromacs
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2010-06-24
Berk Hess
implemented nsteps=-1 for mdrun continuation and tpbconv
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2010-06-23
Gerrit Groenhof
Merge branch 'master' into qmmm
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2010-06-22
Sander Pronk
Most (if not all) file operations are now thread safe.
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2010-06-20
Michael Shirts
Merge branch 'master' of git@git.gromacs.org:gromacs
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2010-06-18
Gerrit Groenhof
Merge branch 'master' into qmmm
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2010-06-17
Maarten Wolf
Merge branch 'master' of git@git.gromacs.org:gromacs
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2010-06-17
Szilard Pall
Merge branch 'master' of git@git.gromacs.org:gromacs
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2010-06-16
kasson
Merge branch 'mymaster'
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2010-06-14
David van der Spoel
Merge branch 'master' of git.gromacs.org:gromacs
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2010-06-14
David van der Spoel
Added more fixes in comment texts, generously provided...
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2010-06-12
Sander Pronk
More C90 pedantry.
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2010-06-12
David van der Spoel
Fixed a lot of spelling errors in comments and document...
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2010-03-02
Roland Schulz
Merge branch 'release-4-0-patches'
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2010-01-05
Roland Schulz
Undo Michael's accidental commits with:
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2010-01-04
Michael Shirts
Merge branch 'master' of git@git.gromacs.org:gromacs
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2009-12-27
Michael Shirts
Merge branch 'master' of git@git.gromacs.org:gromacs
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2009-12-27
Michael Shirts
Merge branch 'master' of git@git.gromacs.org:gromacs
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2009-12-23
Michael Shirts
Merge branch 'master' of git@git.gromacs.org:gromacs
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2009-12-20
Michael Shirts
Merge branch 'master' of git@git.gromacs.org:gromacs
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2009-12-19
Michael Shirts
Committing to merge
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2009-09-14
David van der Spoel
Merge branch 'master' of git@git.gromacs.org:gromacs
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2009-09-14
David van der Spoel
Merge branch 'master' of git.gromacs.org:gromacs
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2009-09-09
Michael Shirts
Merge branch 'master' of git://git.gromacs.org/gromacs
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2009-09-09
Erik Lindahl
Merge branch 'master' of git.gromacs.org:gromacs
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2009-09-07
Roland Schulz
renamed gmx_step_t to gmx_large_int_t. gmx_large_int_t...
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2009-08-30
kasson
Tool merge
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2009-08-27
David van der Spoel
Merge branch 'master' of git@git.gromacs.org:gromacs
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2009-08-26
Erik Lindahl
Merge branch 'master' of git@git.gromacs.org:gromacs
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2009-08-25
Berk Hess
added option -vel to tpbconv
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2009-08-21
Sander Pronk
Merge branch 'thread_mpi'. Threads should work for...
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2009-07-04
Sander Pronk
file names now const correct; builds in C++
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2009-07-01
Sander Pronk
enxio is thread safe (and quite possibly works)
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2009-06-30
Sander Pronk
added output_env_t type for querying time scales, and...
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2009-06-04
Erik Lindahl
Removed Id tags from master branch since they will...
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2009-06-03
lindahl
More fixes for warnings after enabling Gromacs compilat...
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2009-06-03
teemu
Improved compilation (no errors, less warnings) of...
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2009-03-06
hess
added t_resinfo struct to t_atoms which contains the...
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2009-02-26
hess
added a note about checkpoint when using -f
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2009-02-13
hess
added a note about checkpoint when using -f
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2009-02-06
lindahl
Added header for make_seed()
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2009-02-05
hess
tpbconv now changes ld-seed when reading a trajectory
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2009-02-05
hess
tpbconv now changes ld-seed when reading a trajectory
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2009-02-04
hess
energy file format change: energy averages are now...
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2009-02-02
hess
changed most step count variables from int to gmx_step_t
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2008-11-21
hess
allowed options and -until and -extend to work without...
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2008-11-21
hess
allowed options and -until and -extend to work without...
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2008-08-11
hess
added -nsteps and -runtime options and marked the old...
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2008-08-05
hess
t_topology is now partially replaced by gmx_mtop_t...
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2008-06-18
hess
fixed binary exact checkpoint continuation with pressur...
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2008-02-02
hess
removed a array from t_block for cgs and mols, renamed...
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2007-06-13
lindahl
Reverted out the multilambda supported committed yesterday.
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2007-06-12
lindahl
Initial multilambda support added, i.e. we can now...
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2007-04-11
hess
added the filetype to some counters and warning prints...
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2007-04-11
hess
tpbconv now simultaneously checks if a trx and enx...
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2007-02-13
hess
added pbc=xy and walls, added a separate mdp option...
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2006-12-14
hess
removed the multinr arrays from the ilist and block...
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2006-04-19
lindahl
fatal.h clashes with system headers on AIX. Renamed...
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2006-03-24
hess
implemented proper local topologies for domain decompos...
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2005-07-26
hess
fixed a bug introduced in the previous commit which...
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2005-06-24
hess
forced reading of the TRN file when any of the time...
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2005-04-07
hess
changed Ekin to the average of the half step Ekin's...
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2004-09-06
spoel
Replaced the fatal_error routine by a more flexible...
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2004-08-25
spoel
Clarified error message in case the index file and...
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2004-01-23
lindahl
Added conditional inclusion of config.h to source files.
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2003-11-17
spoel
Upped the version to 3.2.0
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2003-08-15
hess
fixed the (not used) time of the state in the output...
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2003-08-13
hess
fixed a typo in a printf
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2003-08-13
hess
implemented ir->init_step in the integration and tpbcon...
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2003-06-16
hess
added coupling data to tpx and enx and updated txtdump...
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2003-06-12
hess
added a struct t_state which should contain all informa...
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2003-05-10
spoel
Lots of small changes, anumber of small bug fixes.
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2002-11-06
lindahl
Partial commit of the project to remove all static...
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2002-02-28
spoel
Updated copyrght header
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2001-08-30
spoel
Included an option to set the charges of a user selecte...
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2001-07-06
lindahl
Created final manual pages, html, and completions for...
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2001-05-14
lindahl
Tagged files with gromacs 3.0 header
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2001-02-12
spoel
Changed DispCorr option from boolean to enumerated
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2000-12-10
spoel
Fixed bu in new option until
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2000-12-10
spoel
Added option -until
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2000-09-14
hess
Committed the new innerloops for Erik Lindahl
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2000-07-18
anton
thanx shoud go to stderr (remains visible when stdout...
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2000-06-21
hess
fixed rounding for -extend
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2000-01-11
anton
added -extend option
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1999-11-03
hess
copyrgted
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1999-08-24
lindahl
Added braces and initializers to avoid compiler warnings
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1999-07-30
hess
removed mdp option
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1999-03-03
spoel
Cleaned up code. Took away sources of compiler warnings...
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1999-02-12
spoel
Added support for new vars
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1999-01-26
anton
removed unused vars and bad formats
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1999-01-21
hess
fixed reading of time and lambda form tpx/trn
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