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Merge branch 'release-4-5-patches'
[alexxy/gromacs.git] / share /
2010-08-03 Szilard PallMerge branch 'release-4-5-patches' tree | commitdiff
2010-08-03 Szilard PallMerge branch 'release-4-5-patches' tree | commitdiff
2010-08-03 David van der SpoelMerge branch 'release-4-5-patches' tree | commitdiff
2010-08-03 David van der SpoelMerge branch 'release-4-5-patches' tree | commitdiff
2010-08-02 Christoph JunghansMerge remote branch 'origin/release-4-5-patches' tree | commitdiff
2010-08-02 Erik LindahlMerge branch 'release-4-5-patches' of git.gromacs.org... tree | commitdiff
2010-08-02 Erik LindahlFixed build issue for template program in double precision tree | commitdiff
2010-08-02 Berk Hesscorrected LJ on H of charmm tips3p tree | commitdiff
2010-08-02 Christoph Junghansupdated ignore files tree | commitdiff
2010-08-02 Pär BjelkmarMerge branch 'release-4-5-patches' tree | commitdiff
2010-08-02 Pär BjelkmarAdded CHARMM references tree | commitdiff
2010-08-01 Erik LindahlAdded ion classes to residuetypes.dat tree | commitdiff
2010-07-30 Erik LindahlMerge branch 'master' of git.gromacs.org:gromacs tree | commitdiff
2010-07-30 Berkadded mdp parameters nsttcouple and nstpcouple tree | commitdiff
2010-07-30 Erik LindahlMerge branch 'master' of git.gromacs.org:gromacs tree | commitdiff
2010-07-29 Berkupdated the #define names for amber99sb and amber99sb... tree | commitdiff
2010-07-29 Berkupdated the charmm ff comments for the new water model... tree | commitdiff
2010-07-29 Berkupdated the charmm ff comments for the new water model... tree | commitdiff
2010-07-29 Rossen ApostolovRemoved OpenMM interface from autoconf, use CMake inste... tree | commitdiff
2010-07-29 Erik LindahlMerge branch 'master' of git.gromacs.org:gromacs tree | commitdiff
2010-07-29 Erik LindahlAdded residuedefinitions for water, and introduced... tree | commitdiff
2010-07-29 Rossen ApostolovMerge branch 'master' of git.gromacs.org:gromacs tree | commitdiff
2010-07-29 BerkMerge branch 'master' of git@git.gromacs.org:gromacs tree | commitdiff
2010-07-29 Berkcorrected the Amber (unused) #define tree | commitdiff
2010-07-29 Berkput ion molecule definitions for GROMOS and OPLS back... tree | commitdiff
2010-07-29 Erik LindahlMerge branch 'master' of git.gromacs.org:gromacs tree | commitdiff
2010-07-29 Berkion molecule, residue and atom names are now capitals... tree | commitdiff
2010-07-29 Berk Hesscompleted partial rename of CYN to CYS for Amber tree | commitdiff
2010-07-29 Berkadded 12-6 wall potential tree | commitdiff
2010-07-29 Christoph JunghansMerge branch 'master' of git://git.gromacs.org/gromacs tree | commitdiff
2010-07-28 Christoph JunghansMerge branch 'master' of git://git.gromacs.org/gromacs tree | commitdiff
2010-07-28 Christoph Junghansupdated template program to new header style and added... tree | commitdiff
2010-07-28 Berk Hesscorrected the Amber aminoacids.r2b files tree | commitdiff
2010-07-28 Berk Hessreplaced the Charmm vsite parameters (which were OPLS... tree | commitdiff
2010-07-28 Berk Hesscorrected a vsite parameter in the amber ff's tree | commitdiff
2010-07-28 Berk Hesscorrected Cl atom name in amber ions.itp tree | commitdiff
2010-07-28 Berk Hessamber ff atomtypes change: corrected masses, removed... tree | commitdiff
2010-07-28 Berk Hessupdate of amber03 aminoacids.rtp, accidentally left... tree | commitdiff
2010-07-27 Erik LindahlMerge branch 'master' of git.gromacs.org:gromacs tree | commitdiff
2010-07-27 Berk Hesscorrected mistakes in amber03 gbsa.itp tree | commitdiff
2010-07-27 Berk Hessfixed typo in Makefile tree | commitdiff
2010-07-27 Berk Hessmoved ff_dum.itp to the gmx and gromos ff directories tree | commitdiff
2010-07-27 Berk Hesscorrected the amber vsite parameters tree | commitdiff
2010-07-27 Berk Hessadded his to opls r2b file tree | commitdiff
2010-07-27 Berk Hessmade the ff file naming of amber and charmm consistent... tree | commitdiff
2010-07-27 Berk Hesscorrected the amber water model files tree | commitdiff
2010-07-26 Erik LindahlAdded lots of missing cmakedefines to config.h.cmakein tree | commitdiff
2010-07-26 Sander PronkMerge branch 'master' of git.gromacs.org:gromacs tree | commitdiff
2010-07-26 Berk Hessrenamed amber LYP to LYS and changed names for water... tree | commitdiff
2010-07-26 Berk Hessremoved HOH from amber rna.hdb tree | commitdiff
2010-07-26 Berk Hessadded missing entries for amber rna.hdb tree | commitdiff
2010-07-26 Erik LindahlMerge branch 'master' of git.gromacs.org:gromacs tree | commitdiff
2010-07-26 Erik LindahlAdded NME to the list of amino acid names tree | commitdiff
2010-07-26 Berk Hesscleaned up Amber hdb's and added HO4 tree | commitdiff
2010-07-26 Berk Hessrenamed atom types from amber99_? etc. to the original... tree | commitdiff
2010-07-26 Berk Hessremoved building block RT from the lists in share/top tree | commitdiff
2010-07-26 Sander PronkMerge branch 'master' of git.gromacs.org:gromacs tree | commitdiff
2010-07-26 Berk Hessadded residue and atom renaming for AMBER dna and rna tree | commitdiff
2010-07-26 Sander PronkMerge branch 'master' of git.gromacs.org:gromacs tree | commitdiff
2010-07-26 Berk Hessrenamed O to O2 in amber rna.rtp tree | commitdiff
2010-07-26 Erik LindahlAdded gbsa.itp to Makefile.am in all amber force fields... tree | commitdiff
2010-07-26 Erik LindahlChanged to non-prefixed default RNA residue names in... tree | commitdiff
2010-07-26 Erik LindahlMerge branch 'master' of git.gromacs.org:gromacs tree | commitdiff
2010-07-26 Erik LindahlChanged to non-prefixed default RNA residue names in... tree | commitdiff
2010-07-26 Erik LindahlMerge branch 'master' of git.gromacs.org:gromacs tree | commitdiff
2010-07-26 Berk Hessrenamed O to O2 in amber dna.rtp tree | commitdiff
2010-07-26 Erik LindahlAdded gbsa parameters to Amber force fields tree | commitdiff
2010-07-25 Erik LindahlAdded DNA/RNA residue translation tables for charmm27 tree | commitdiff
2010-07-24 Erik LindahlSecond batch of file modifications to enable Amber... tree | commitdiff
2010-07-24 Erik Lindahlpdb2gmx changes to support protein/DNA/RNA mixtures... tree | commitdiff
2010-07-23 Erik LindahlRemoved scratch files from amber99 tree | commitdiff
2010-07-21 Erik LindahlFixed bugs that caused type-4 impropers (same form... tree | commitdiff
2010-07-21 Erik LindahlChanges to enable Amber99 tree | commitdiff
2010-07-14 David van der SpoelAdded more atoms to the scattering factor data file. tree | commitdiff
2010-07-14 David van der SpoelFixed bug 462. pdb2gmx should now produce the correct... tree | commitdiff
2010-07-10 Michael ShirtsFixed minor formatting conflict. tree | commitdiff
2010-07-08 David van der SpoelMerge branch 'master' of git.gromacs.org:gromacs tree | commitdiff
2010-07-08 David van der SpoelAdded bondedtypes section to rtp files. It might be... tree | commitdiff
2010-07-08 Pär BjelkmarFixed LSN and CYS2 typos in CHARMM ff tree | commitdiff
2010-07-08 David van der SpoelMerge branch 'master' of git.gromacs.org:gromacs tree | commitdiff
2010-07-07 David van der SpoelMerge branch 'master' of git.gromacs.org:gromacs tree | commitdiff
2010-07-06 Per LarssonMerge branch 'master' of git@git.gromacs.org:gromacs tree | commitdiff
2010-07-06 Per LarssonAdded support for GB implicit solvent for oplsaa. tree | commitdiff
2010-07-05 David van der SpoelMerge branch 'master' of git.gromacs.org:gromacs tree | commitdiff
2010-07-05 David van der SpoelMerge branch 'master' of git.gromacs.org:gromacs tree | commitdiff
2010-07-05 David van der SpoelAdded sfactor.dat to the installation targets in share... tree | commitdiff
2010-06-30 David van der SpoelMerge branch 'master' of git.gromacs.org:gromacs tree | commitdiff
2010-06-28 Berk Hessdocumented pull cosine weighting tree | commitdiff
2010-06-27 David van der SpoelMerge branch 'master' of git.gromacs.org:gromacs tree | commitdiff
2010-06-27 Michael ShirtsMerge branch 'master' of git@git.gromacs.org:gromacs tree | commitdiff
2010-06-24 Szilard PallMerge branch 'master' of git@git.gromacs.org:gromacs tree | commitdiff
2010-06-24 Berk Hessremoved obsolete fftgrid code and disabled PPPM with... tree | commitdiff
2010-06-23 Gerrit GroenhofMerge branch 'master' into qmmm tree | commitdiff
2010-06-22 Pär BjelkmarDeleted double entries in atomtypes. tree | commitdiff
2010-06-20 Michael ShirtsMerge branch 'master' of git@git.gromacs.org:gromacs tree | commitdiff
2010-06-20 Michael Shirtsadded more information in mdp options. tree | commitdiff
2010-06-18 Berkfixed pdb2gmx tip4p adn tip5p atom naming (although... tree | commitdiff
2010-06-18 Gerrit GroenhofMerge branch 'master' into qmmm tree | commitdiff
2010-06-17 Maarten WolfMerge branch 'master' of git@git.gromacs.org:gromacs tree | commitdiff
2010-06-17 Berk Hessadded water model selection and list file to pdb2gmx tree | commitdiff
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