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Enforced rotation: added fit type 'potential'
[alexxy/gromacs.git]
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share
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2011-01-10
Teemu Murtola
Added a C++ template for analysis tools.
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commitdiff
2011-01-04
Carsten Kutzner
Merge branch 'release-4-5-patches'
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commitdiff
2010-12-26
Teemu Murtola
Merge branch 'cpp-analysis'
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commitdiff
2010-12-26
Teemu Murtola
Merge commit '0e52c9073c31ddc1cdc23f0cbf867ad1c9e72524...
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commitdiff
2010-12-26
Teemu Murtola
Merge commit '4d39dbdaa88b63df182fb3ca1d9133f2809277c1...
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commitdiff
2010-12-26
Teemu Murtola
Merge branch 'release-4-5-patches'
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commitdiff
2010-12-23
David van der Spoel
Merge branch 'release-4-5-patches'
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commitdiff
2010-12-11
David van der Spoel
Merge branch 'release-4-5-patches'
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commitdiff
2010-12-11
David van der Spoel
Merge branch 'release-4-5-patches' of git.gromacs.org...
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commitdiff
2010-12-11
David van der Spoel
Merge branch 'master' of git.gromacs.org:gromacs
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commitdiff
2010-12-11
David van der Spoel
Merge branch 'release-4-5-patches'
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commitdiff
2010-12-11
David van der Spoel
Added 1 quote.
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commitdiff
2010-12-10
Pär Bjelkmar
Added CHARMM neutral lysine, LYN, to residuetypes.dat.
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commitdiff
2010-12-09
David van der Spoel
Merge branch 'release-4-5-patches'
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commitdiff
2010-12-02
Carsten Kutzner
Merge branch 'release-4-5-patches'
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commitdiff
2010-12-02
ckutzne
Fixed typo.
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commitdiff
2010-11-28
David van der Spoel
Merge branch 'release-4-5-patches'
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commitdiff
2010-11-17
Carsten Kutzner
Merge branch 'release-4-5-patches'
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commitdiff
2010-11-15
Carsten Kutzner
Merge branch 'rotation-4-5' into rotation
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commitdiff
2010-11-15
Carsten Kutzner
Merge branch 'rotation-4-5' into rotation
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commitdiff
2010-11-15
Carsten Kutzner
Merge branch 'release-4-5-patches' into rotation-4-5
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commitdiff
2010-11-08
Pär Bjelkmar
Deleted redundant charmm27.ff/dna.r2b.
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commitdiff
2010-11-08
Carsten Kutzner
Merge branch 'rotation-4-5' into rotation
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commitdiff
2010-11-08
Carsten Kutzner
Merge branch 'release-4-5-patches' into rotation-4-5
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commitdiff
2010-11-05
Szilard Pall
Merge branch 'release-4-5-patches' of git.gromacs.org...
tree
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commitdiff
2010-11-05
Teemu Murtola
Merge branch 'release-4-5-patches'
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commitdiff
2010-11-05
Pär Bjelkmar
More atom-based charge groups in CHARMM (termini and...
tree
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commitdiff
2010-11-05
Carsten Kutzner
Merge branch 'rotation-4-5' into rotation
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commitdiff
2010-11-04
Carsten Kutzner
Merge branch 'rotation-4-5' into rotation
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commitdiff
2010-11-04
Carsten Kutzner
Merge branch 'master' into rotation
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commitdiff
2010-11-04
Carsten Kutzner
Merge branch 'release-4-5-patches' into rotation-4-5
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commitdiff
2010-11-04
Carsten Kutzner
Merge branch 'rotation-4-5' into rotation
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commitdiff
2010-11-04
hess
added GB params for charmm MCH3S
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commitdiff
2010-10-30
Sander Pronk
Added Windows macro for snprintf.
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commitdiff
2010-10-28
David van der Spoel
Merge branch 'release-4-5-patches' of git.gromacs.org...
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commitdiff
2010-10-28
Berk Hess
added HEM to HEME renaming for Gromos and Charmm ff's
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commitdiff
2010-10-18
Berk Hess
fixed atom type name case for methanol.itp in gromos43a1.ff
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commitdiff
2010-10-18
Teemu Murtola
Use CMake install for install-mdrun (bugs #549, #555)
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commitdiff
2010-10-14
Teemu Murtola
Merge branch 'master' into cpp-private
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commitdiff
2010-10-14
Teemu Murtola
Merge branch 'release-4-5-patches'
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commitdiff
2010-10-08
David van der Spoel
Merge branch 'release-4-5-patches' of git.gromacs.org...
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commitdiff
2010-10-08
Roland Schulz
Merge remote branch 'origin/release-4-5-patches'
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commitdiff
2010-10-08
Roland Schulz
Merge branch 'release-4-5-patches'
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commitdiff
2010-10-07
hess
Made Charmm27 DNA and RNA termini (Michel Cuendet)...
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commitdiff
2010-10-05
Berk Hess
renamed mdp setting Ace-approx to Ace-approximation
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commitdiff
2010-10-05
Szilard Pall
Merge branch 'master' of git.gromacs.org:gromacs
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commitdiff
2010-10-05
Mark Abraham
Fix manual references for 'continuation', rather than...
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commitdiff
2010-09-30
Roland Schulz
Merge branch 'release-4-5-patches'
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commitdiff
2010-09-25
David van der Spoel
Merge branch 'release-4-5-patches'
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commitdiff
2010-09-25
David van der Spoel
Added software-related quote
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commitdiff
2010-09-25
Berk Hess
fixed case of opls atom types in share/top/ions.itp...
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commitdiff
2010-09-22
Roland Shulz
MCH3S was missing
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commitdiff
2010-09-22
Carsten Kutzner
Merge branch 'rotation-4-5' into rotation
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commitdiff
2010-09-22
Carsten Kutzner
Merge branch 'rotation-4-5' into rotation
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commitdiff
2010-09-22
Carsten Kutzner
Merge branch 'release-4-5-patches' into rotation-4-5
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commitdiff
2010-09-20
David van der Spoel
Merge branch 'master' of git@git.gromacs.org:gromacs
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commitdiff
2010-09-20
David van der Spoel
Merge branch 'release-4-5-patches'
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commitdiff
2010-09-20
Carsten Kutzner
Merge branch 'rotation-4-5' into rotation
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commitdiff
2010-09-20
Per Larsson
Changes to GB non-polar solvation calculations
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commitdiff
2010-09-17
Carsten Kutzner
Merge branch 'rotation-4-5' into rotation
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commitdiff
2010-09-17
Carsten Kutzner
Merge branch 'release-4-5-patches' into rotation-4-5
tree
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commitdiff
2010-09-16
David van der Spoel
Merge branch 'release-4-5-patches'
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commitdiff
2010-09-16
Pär Bjelkmar
Merge branch 'release-4-5-patches' of git://git.gromacs...
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commitdiff
2010-09-16
Pär Bjelkmar
Atom-based charge groups in CHARMM.
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commitdiff
2010-09-16
Carsten Kutzner
Merge branch 'rotation-4-5' into rotation
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commitdiff
2010-09-16
Carsten Kutzner
Merge branch 'rotation-4-5' into rotation
tree
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commitdiff
2010-09-14
Carsten Kutzner
Merge branch 'release-4-5-patches' into rotation-4-5
tree
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commitdiff
2010-09-14
David van der Spoel
Merge branch 'release-4-5-patches'
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commitdiff
2010-09-14
Mark Abraham
Formatting fixes to documentation
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commitdiff
2010-09-12
David van der Spoel
Fixed demo to work with new pdb2gmx that requires two...
tree
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commitdiff
2010-09-10
Szilard Pall
Merge branch 'master' of git.gromacs.org:gromacs
tree
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commitdiff
2010-09-10
Szilard Pall
Merge remote branch 'origin/release-4-5-patches'
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commitdiff
2010-09-10
Berk Hess
removed tip5p from charmm27.ff/watermodels.dat, since...
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commitdiff
2010-09-09
Mark Abraham
Added TIP5p to CHARMM forcefield by analogy with AMBER0...
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commitdiff
2010-09-09
Szilard Pall
Merge branch 'master' of git.gromacs.org:gromacs
tree
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commitdiff
2010-09-08
Szilard Pall
Merge branch 'release-4-5-patches'
tree
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commitdiff
2010-09-08
Per Larsson
Fixed atomtype H0 for GBSA in amber03
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commitdiff
2010-09-08
Berk Hess
added MCH3S atom type for Charmm for virtual sites...
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commitdiff
2010-09-07
Rossen Apostolov
Merge branch 'release-4-5-patches'
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commitdiff
2010-09-06
Szilard Pall
Merge branch 'release-4-5-patches'
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commitdiff
2010-09-02
Rossen Apostolov
Another missing CMake file.
tree
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commitdiff
2010-09-02
Rossen Apostolov
Merge branch 'release-4-5-patches'
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commitdiff
2010-09-01
Mark Abraham
Formatting fixes to documentation
tree
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commitdiff
2010-09-01
Mark Abraham
Merge branch 'release-4-5-patches' of git.gromacs.org...
tree
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commitdiff
2010-09-01
Mark Abraham
make_opt.html now doesn't use <h4>, rather it uses...
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commitdiff
2010-09-01
Mark Abraham
General fixes
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commitdiff
2010-08-31
Christoph Junghans
Revert "Disabled building template because it does...
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commitdiff
2010-08-31
Erik Lindahl
Moved buggy and unsupported g_sdf to contrib directory...
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commitdiff
2010-08-30
David van der Spoel
Merge branch 'release-4-5-patches'
tree
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commitdiff
2010-08-30
David van der Spoel
Added one quote.
tree
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commitdiff
2010-08-30
Christoph Junghans
fixed Template.mak
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commitdiff
2010-08-30
Carsten Kutzner
Merge branch 'master' into rotation
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commitdiff
2010-08-27
Erik Lindahl
Merge branch 'release-4-5-patches'
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commitdiff
2010-08-27
Erik Lindahl
Resolved merge conflict in gmx_membed.c
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commitdiff
2010-08-27
Maarten Wolf
Merge branch 'master' of git@git.gromacs.org:gromacs
tree
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commitdiff
2010-08-27
Carsten Kutzner
Merge branch 'master' into rotation
tree
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commitdiff
2010-08-27
Carsten Kutzner
Merge branch 'release-4-5-patches' into rotation-4-5
tree
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commitdiff
2010-08-27
Erik Lindahl
Merge branch 'release-4-5-patches' of git.gromacs.org...
tree
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commitdiff
2010-08-27
David van der Spoel
Disabled building template because it does not compile !
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commitdiff
2010-08-27
Sander Pronk
Some documentation changes.
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commitdiff
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