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Print warning when reference file is set but could not be found
[alexxy/gromacs.git]
/
src
/
kernel
/
grompp.c
2010-11-05
Carsten Kutzner
Print warning when reference file is set but could...
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2010-11-05
Carsten Kutzner
Merge branch 'release-4-5-patches' into rotation-4-5
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2010-11-04
Carsten Kutzner
Merge branch 'release-4-5-patches' into rotation-4-5
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2010-11-04
hess
clarified GB parameter error messages in grompp
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2010-11-02
Berk Hess
fixed incorrect print in fatal error on charge group...
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2010-11-02
Berk Hess
proper defined of MAX_CHARGEGROUP_SIZE=32 in a single...
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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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2010-10-22
Per Larsson
Added a check in grompp for the case with particles...
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2010-10-09
Erik Lindahl
Merge branch 'release-4-5-patches' of git.gromacs.org...
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2010-10-09
Erik Lindahl
Fixed uninitialized variable warning in grompp.c
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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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2010-10-05
Berk Hess
made grompp mdp input file non-optional, fixes bugzilla 577
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2010-09-22
Berk Hess
added a warning/note for bond oscillational periods...
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2010-09-22
Carsten Kutzner
Merge branch 'release-4-5-patches' into rotation-4-5
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2010-09-20
Carsten Kutzner
Merge branch 'release-4-5-patches' into rotation-4-5
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2010-09-17
Carsten Kutzner
Merge branch 'release-4-5-patches' into rotation-4-5
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2010-09-14
Carsten Kutzner
Merge branch 'release-4-5-patches' into rotation-4-5
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2010-09-13
Berk Hess
fixed grompp -t frame choice for trajectories with...
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2010-09-13
Berk Hess
added check and warning for no velocities in grompp...
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2010-08-30
hess
small changes to grompp documentation
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2010-08-30
Carsten Kutzner
Merge branch 'release-4-5-patches' into rotation-4-5
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2010-08-27
Carsten Kutzner
Merge branch 'release-4-5-patches' into rotation-4-5
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2010-08-25
Rossen Apostolov
Redefine the default boolean type to gmx_bool.
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2010-08-02
Erik Lindahl
Removed unused variable that caused a warning
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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
Roland Schulz
added missing initialization
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2010-07-29
Carsten Kutzner
Merge branch 'master' into rotation
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2010-07-28
Carsten Kutzner
Merge branch 'master' into rotation
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2010-07-27
Carsten Kutzner
Merge branch 'master' into rotation
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2010-07-27
Carsten Kutzner
Merge branch 'master' into rotation
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2010-07-27
Carsten Kutzner
Merge branch 'master' into rotation
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2010-07-26
Carsten Kutzner
Merge branch 'master' into rotation
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2010-07-23
Carsten Kutzner
Merge branch 'master' into rotation
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2010-07-22
Carsten Kutzner
Merge branch 'master' into rotation
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2010-07-21
Carsten Kutzner
Merge branch 'master' into rotation
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2010-07-21
Carsten Kutzner
Merge branch 'master' into rotation
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2010-07-20
Carsten Kutzner
Merge branch 'master' into rotation
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2010-07-19
Carsten Kutzner
Merge branch 'master' into rotation
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2010-07-16
Carsten Kutzner
Merge branch 'master' into rotation
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2010-07-13
Carsten Kutzner
Merge branch 'master' into rotation
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2010-07-10
Michael Shirts
Fixed minor formatting conflict.
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2010-07-08
David van der Spoel
Merge branch 'master' of git.gromacs.org:gromacs
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2010-07-07
David van der Spoel
Merge branch 'master' of git.gromacs.org:gromacs
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2010-07-06
Carsten Kutzner
Merge branch 'master' into rotation
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2010-07-05
Maarten Wolf
Merge branch 'master' of git@git.gromacs.org:gromacs
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2010-07-05
Berk Hess
removed a lot of slow FFT grid sizes from calc_grid...
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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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2010-06-23
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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2010-06-09
Gerrit Groenhof
Merge branch 'master' into qmmm
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2010-05-26
Erik Marklund
Merge branch 'master' of git.gromacs.org:gromacs
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2010-05-25
David van der Spoel
Merge branch 'master' of git.gromacs.org:gromacs
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2010-05-24
David van der Spoel
Removed C++ style comments in mdrun.
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2010-05-07
Szilard Pall
Merge branch 'master' of git@git.gromacs.org:gromacs
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2010-05-02
David van der Spoel
Merge branch 'master' of git@git.gromacs.org:gromacs
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2010-04-29
Berk Hess
Merge commit 'origin/master' into 2dpme
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2010-04-29
Carsten Kutzner
Enforced rotation: started to implement mass-weighted...
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2010-04-28
Berk Hess
fixed the grompp -e option and added notes on checkpoin...
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2010-04-27
Berk Hess
resolved merge conflicts
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2010-03-12
David van der Spoel
Merge branch 'master' of git.gromacs.org:gromacs
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2010-03-07
Roland Schulz
Merge branch 'master' of git@git.gromacs.org:gromacs
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2010-03-02
Berk Hess
added option to init_warning to turn all warnings into...
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2010-03-02
Berk Hess
moved all global variables for input file checking...
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2010-03-02
Roland Schulz
Merge branch 'release-4-0-patches'
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2010-03-01
Berk Hess
split off warninp.c with input reading warning routines...
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2010-03-01
Berk Hess
added charge group size check to grompp
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2010-02-19
Berk
the pme load ratio calculation now takes charge perturb...
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2010-02-02
Carsten Kutzner
Merge branch 'master' into rotation
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2010-01-26
David van der Spoel
Merge branch 'master' of git.gromacs.org:gromacs
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2010-01-25
Sander Pronk
Merge branch 'master' of git.gromacs.org:gromacs
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2010-01-25
Sander Pronk
Fixed output_env member functions (names, support for...
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2010-01-22
David van der Spoel
Merge branch 'master' of git@git.gromacs.org:gromacs
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2010-01-22
Berk Hess
added warning for using full electrostatics without...
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2010-01-22
Michael Shirts
Merge branch 'master' of git@git.gromacs.org:gromacs
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2010-01-21
David van der Spoel
Made programs less verbose about atomprops and about...
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2010-01-19
David van der Spoel
Merge branch 'master' of git@git.gromacs.org:gromacs
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2010-01-19
Carsten Kutzner
Merge branch 'master' into rotation
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2010-01-19
Carsten Kutzner
Enforced rotation: added reference positions to tpr...
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2010-01-13
Carsten Kutzner
Merge branch 'master' into rotation
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2010-01-13
Carsten Kutzner
Merge branch 'master' into rotation
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2010-01-13
Carsten Kutzner
Merge branch 'master' of git@git.gromacs.org:gromacs
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2010-01-11
Michael Shirts
changes the nnhchains name to nhchainlength
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2010-01-11
Michael Shirts
Merge branch 'master' of git://git.gromacs.org/gromacs
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2010-01-11
Berk Hess
made separate arrays for NH pressure variables
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2010-01-07
Michael Shirts
Merge branch 'master' of git://git.gromacs.org/gromacs
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2010-01-07
Michael Shirts
Merge branch 'master' of git://git.gromacs.org/gromacs
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2010-01-07
Berk
moved cmap_grid from mtop to ffparams and idef
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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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2010-01-02
Michael Shirts
Revision of handling of foreign lambda bonds.
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2010-01-01
Michael Shirts
More fixes for the multicomponent lambda.
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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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2009-12-21
David van der Spoel
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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2009-12-20
Michael Shirts
Merge branch 'master' of git@git.gromacs.org:gromacs
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2009-12-20
Michael Shirts
Fixed an issue with checkpointing not getting the first...
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