biod.pnpi.spb.ru
/
alexxy
/
gromacs.git
/ history
commit
grep
author
committer
pickaxe
?
search:
re
summary
|
shortlog
|
log
|
commit
|
commitdiff
|
tree
first ⋅ prev ⋅
next
Merge "Removed duplicate CMake functionality" into release-4-6
[alexxy/gromacs.git]
/
share
/
2011-09-27
Mark Abraham
Removed autotools and references to them.
tree
|
commitdiff
2011-09-16
Erik Lindahl
Merge "made allocation for LINCS with particle decompos...
tree
|
commitdiff
2011-09-15
Berk Hess
Merge "Introduced different options for pdb2gmx termini...
tree
|
commitdiff
2011-09-13
Rossen Apostolov
Merge "Added warning line." into release-4-5-patches
tree
|
commitdiff
2011-09-13
Berk Hess
Merge "Fix pdb2gmx -debug and .hdb files" into release...
tree
|
commitdiff
2011-09-13
Berk Hess
Merge "Fixed charge groups of CHARMM27 DNA/RNA terminal...
tree
|
commitdiff
2011-09-13
Berk Hess
Merge "Added ACE and CT3 to CHARMM27 aminoacids.rtp...
tree
|
commitdiff
2011-09-13
Erik Lindahl
Fixed incorrection AmberGS force field (redmine #728)
tree
|
commitdiff
2011-09-13
Mark Abraham
Added ACE and CT3 to CHARMM27 aminoacids.rtp
tree
|
commitdiff
2011-09-13
Mark Abraham
Fixed charge groups of CHARMM27 DNA/RNA terminal H
tree
|
commitdiff
2011-07-01
David van der Spoel
Merge branch 'release-4-5-patches' of git@git.gromacs...
tree
|
commitdiff
2011-06-10
David van der Spoel
Merge branch 'release-4-5-patches' of git@git.gromacs...
tree
|
commitdiff
2011-05-31
David van der Spoel
Added quote.
tree
|
commitdiff
2011-05-31
David van der Spoel
Merge branch 'release-4-5-patches' of git@git.gromacs...
tree
|
commitdiff
2011-05-26
Justin A. Lemkul
Fixes to sugar dihedrals.
tree
|
commitdiff
2011-05-23
David van der Spoel
Merge branch 'release-4-5-patches' of git@git.gromacs...
tree
|
commitdiff
2011-05-18
Rossen Apostolov
Fixed g_tcaf citation in html docs
tree
|
commitdiff
2011-05-10
Erik Marklund
Merge branch 'release-4-5-patches' of git@git.gromacs...
tree
|
commitdiff
2011-05-06
David van der Spoel
Merge branch 'release-4-5-patches' of git@git.gromacs...
tree
|
commitdiff
2011-05-05
Erik Lindahl
Merge branch 'release-4-5-patches' of git.gromacs.org...
tree
|
commitdiff
2011-05-05
Erik Lindahl
Update doc to clarify that Amber nucleic params are...
tree
|
commitdiff
2011-05-02
Erik Marklund
Merge branch 'release-4-5-patches' of git@git.gromacs...
tree
|
commitdiff
2011-05-01
Mark Abraham
Fixed description of .mdp option to "h-bonds"
tree
|
commitdiff
2011-04-28
Justin A. Lemkul
Small fixes to mdp_opt.html
tree
|
commitdiff
2011-04-16
Justin A. Lemkul
Standardized spacing of *.ff/ions.itp and fixed some...
tree
|
commitdiff
2011-04-04
David van der Spoel
Added 1 analysis tool manual.
tree
|
commitdiff
2011-04-04
David van der Spoel
Merge branch 'release-4-5-patches' into orderparm
tree
|
commitdiff
2011-03-21
Rossen Apostolov
Added back Template.mak.
tree
|
commitdiff
2011-03-21
Rossen Apostolov
Removed some template files from installation.
tree
|
commitdiff
2011-03-05
David van der Spoel
Merge branch 'release-4-5-patches' of git@git.gromacs...
tree
|
commitdiff
2011-02-26
Justin Lemkul
Another typo.
tree
|
commitdiff
2011-02-26
Justin Lemkul
Fixed some typos in mdp_opt.html
tree
|
commitdiff
2011-01-30
David van der Spoel
Merge branch 'release-4-5-patches' into orderparm
tree
|
commitdiff
2011-01-26
David van der Spoel
Merge branch 'release-4-5-patches' of git@git.gromacs...
tree
|
commitdiff
2011-01-23
Mark Abraham
Improved consistency of text style usage
tree
|
commitdiff
2011-01-20
Mark Abraham
Added NHE to OPLS/AA pdb2gmx hydrogen database
tree
|
commitdiff
2011-01-18
Justin Lemkul
Fixes to the demo script.
tree
|
commitdiff
2011-01-17
Justin Lemkul
Fixes to methanol and mixed demos. Issue ID #669
tree
|
commitdiff
2011-01-17
Justin Lemkul
Various editorial and formatting fixes
tree
|
commitdiff
2011-01-17
Mark Abraham
Fix Angstrom <=> nm error in documentation
tree
|
commitdiff
2010-12-11
David van der Spoel
Merge branch 'release-4-5-patches' of git.gromacs.org...
tree
|
commitdiff
2010-12-11
David van der Spoel
Added 1 quote.
tree
|
commitdiff
2010-12-10
Pär Bjelkmar
Added CHARMM neutral lysine, LYN, to residuetypes.dat.
tree
|
commitdiff
2010-12-02
ckutzne
Fixed typo.
tree
|
commitdiff
2010-11-08
Pär Bjelkmar
Deleted redundant charmm27.ff/dna.r2b.
tree
|
commitdiff
2010-11-05
Szilard Pall
Merge branch 'release-4-5-patches' of git.gromacs.org...
tree
|
commitdiff
2010-11-05
Pär Bjelkmar
More atom-based charge groups in CHARMM (termini and...
tree
|
commitdiff
2010-11-04
hess
added GB params for charmm MCH3S
tree
|
commitdiff
2010-10-30
Sander Pronk
Added Windows macro for snprintf.
tree
|
commitdiff
2010-10-28
David van der Spoel
Merge branch 'release-4-5-patches' of git.gromacs.org...
tree
|
commitdiff
2010-10-28
Berk Hess
added HEM to HEME renaming for Gromos and Charmm ff's
tree
|
commitdiff
2010-10-18
Berk Hess
fixed atom type name case for methanol.itp in gromos43a1.ff
tree
|
commitdiff
2010-10-18
Teemu Murtola
Use CMake install for install-mdrun (bugs #549, #555)
tree
|
commitdiff
2010-10-08
David van der Spoel
Merge branch 'release-4-5-patches' of git.gromacs.org...
tree
|
commitdiff
2010-10-07
hess
Made Charmm27 DNA and RNA termini (Michel Cuendet)...
tree
|
commitdiff
2010-10-05
Berk Hess
renamed mdp setting Ace-approx to Ace-approximation
tree
|
commitdiff
2010-10-05
Mark Abraham
Fix manual references for 'continuation', rather than...
tree
|
commitdiff
2010-09-25
David van der Spoel
Added software-related quote
tree
|
commitdiff
2010-09-25
Berk Hess
fixed case of opls atom types in share/top/ions.itp...
tree
|
commitdiff
2010-09-22
Roland Shulz
MCH3S was missing
tree
|
commitdiff
2010-09-20
Per Larsson
Changes to GB non-polar solvation calculations
tree
|
commitdiff
2010-09-16
Pär Bjelkmar
Merge branch 'release-4-5-patches' of git://git.gromacs...
tree
|
commitdiff
2010-09-16
Pär Bjelkmar
Atom-based charge groups in CHARMM.
tree
|
commitdiff
2010-09-14
Mark Abraham
Formatting fixes to documentation
tree
|
commitdiff
2010-09-12
David van der Spoel
Fixed demo to work with new pdb2gmx that requires two...
tree
|
commitdiff
2010-09-10
Berk Hess
removed tip5p from charmm27.ff/watermodels.dat, since...
tree
|
commitdiff
2010-09-09
Mark Abraham
Added TIP5p to CHARMM forcefield by analogy with AMBER0...
tree
|
commitdiff
2010-09-08
Per Larsson
Fixed atomtype H0 for GBSA in amber03
tree
|
commitdiff
2010-09-08
Berk Hess
added MCH3S atom type for Charmm for virtual sites...
tree
|
commitdiff
2010-09-02
Rossen Apostolov
Another missing CMake file.
tree
|
commitdiff
2010-09-01
Mark Abraham
Formatting fixes to documentation
tree
|
commitdiff
2010-09-01
Mark Abraham
Merge branch 'release-4-5-patches' of git.gromacs.org...
tree
|
commitdiff
2010-09-01
Mark Abraham
make_opt.html now doesn't use <h4>, rather it uses...
tree
|
commitdiff
2010-09-01
Mark Abraham
General fixes
tree
|
commitdiff
2010-08-31
Erik Lindahl
Moved buggy and unsupported g_sdf to contrib directory...
tree
|
commitdiff
2010-08-30
Christoph Junghans
fixed Template.mak
tree
|
commitdiff
2010-08-27
Erik Lindahl
Merge branch 'release-4-5-patches' of git.gromacs.org...
tree
|
commitdiff
2010-08-27
Sander Pronk
Some documentation changes.
tree
|
commitdiff
2010-08-26
Sander Pronk
Free energy writing to ener.edr and four new options...
tree
|
commitdiff
2010-08-26
Mark Abraham
Made the description of ld_seed and gen_seed seed gener...
tree
|
commitdiff
2010-08-26
Erik Lindahl
Updated html documentation for release 4.5
tree
|
commitdiff
2010-08-26
Mark Abraham
Fixed HTML documentation to use proper '&ge', not ...
tree
|
commitdiff
2010-08-26
Mark Abraham
Clarified documentation about when gen_vel generates...
tree
|
commitdiff
2010-08-25
Rossen Apostolov
Redefine the default boolean type to gmx_bool.
tree
|
commitdiff
2010-08-24
Erik Lindahl
Merge branch 'release-4-5-patches' of git.gromacs.org...
tree
|
commitdiff
2010-08-24
hess
added Amber terminal His rtp names to residuetypes.dat
tree
|
commitdiff
2010-08-24
hess
renamed oplsaa HISA to HISD and HISB to HISE in all...
tree
|
commitdiff
2010-08-23
Rossen Apostolov
Merge branch 'release-4-5-patches' of git.gromacs.org...
tree
|
commitdiff
2010-08-23
Pär Bjelkmar
Merge branch 'release-4-5-patches' of git.gromacs.org...
tree
|
commitdiff
2010-08-23
Pär Bjelkmar
Added CT3 termini and minor edit in doc file.
tree
|
commitdiff
2010-08-22
Erik Lindahl
Amber force fields now pass validation. Beta status...
tree
|
commitdiff
2010-08-18
Michael Shirts
Merge branch 'release-4-5-patches' of git@git.gromacs...
tree
|
commitdiff
2010-08-18
Erik Lindahl
Merge branch 'release-4-5-patches' of git.gromacs.org...
tree
|
commitdiff
2010-08-18
Erik Lindahl
Modified atom order in Amber nucleotide improper torsio...
tree
|
commitdiff
2010-08-18
Erik Lindahl
Modified improper torsion atom order in Amber TRP resid...
tree
|
commitdiff
2010-08-17
Erik Lindahl
Merge branch 'release-4-5-patches' of git.gromacs.org...
tree
|
commitdiff
2010-08-17
Michael Shirts
Merge branch 'release-4-5-patches' of git@git.gromacs...
tree
|
commitdiff
2010-08-17
Christoph Junghans
split libs in Template.mak
tree
|
commitdiff
2010-08-17
Christoph Junghans
make cmake install a CMakeLists.txt for the template...
tree
|
commitdiff
2010-08-10
Erik Lindahl
Merge branch 'release-4-5-patches' of git.gromacs.org...
tree
|
commitdiff
next