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correction in new ions and clusterfix
[unres4.git] / source / unres / data /
2020-11-05 Adam Sieradzancorrection in new ions and clusterfix tree | commitdiff
2020-09-30 Anna AntoniakImplementation of ions into NARES tree | commitdiff
2020-03-18 Adam Sieradzanworking cutoff tree | commitdiff
2020-03-03 Adam Sieradzanadding contact map tree | commitdiff
2020-01-03 Agnieszka Lipskametal ions and protein interaction parameters - correct... tree | commitdiff
2019-11-25 Adam Sieradzanworking gradient for cations tree | commitdiff
2019-11-22 Adam Sieradzannew ecat_prot energy is computed tree | commitdiff
2019-11-22 Adam SieradzanMerge branch 'UCGM' of mmka.chem.univ.gda.pl:unres4... tree | commitdiff
2019-11-20 Adam Sieradzanchanges in wham names and trial in MD tree | commitdiff
2019-11-13 Agnieszka LipskaNew ions represetation tree | commitdiff
2019-11-12 Agnieszka LipskaMerge branch 'UCGM' of mmka.chem.univ.gda.pl:unres4... tree | commitdiff
2019-11-12 Agnieszka Lipskachanges for new ion parametrization tree | commitdiff
2019-06-07 Adam Sieradzancritical bugfix NARES_UNRES interface tree | commitdiff
2019-01-30 Adam Sieradzanchanges in wham and cluser + cutoff corr tree | commitdiff
2018-11-21 Adam Sieradzanadding Debey screening and old torsion parm tree | commitdiff
2018-10-09 Adam SieradzanNEW CORR added to UNRES4 tree | commitdiff
2018-09-27 Adam Sieradzanintroduction of PBC to prot_cat tree | commitdiff
2018-05-07 Adam Sieradzanrenamining + shielding parallel tree | commitdiff
2018-05-03 Adam Sieradzancorrection for gfortran tree | commitdiff
2018-05-02 Adam SieradzanBUG found in SC-SC grad and FGPROC>1 tree | commitdiff
2018-05-02 Adam SieradzanMPI shield tree | commitdiff
2018-04-18 Emilia Lubeckaadded preminim tree | commitdiff
2018-03-23 Adam SieradzanMerge branch 'UCGM' of mmka.chem.univ.gda.pl:unres4... tree | commitdiff
2018-03-23 Adam Sieradzanchanges for phosphorylated amino-acid tree | commitdiff
2018-02-06 Emilia Lubeckanewest dihed constr added tree | commitdiff
2018-01-30 Adam Sieradzanchanges to debug tree | commitdiff
2018-01-29 Adam Sieradzanchanges in wham and unres tree | commitdiff
2018-01-11 Adam Sieradzancorrection in returnbox tree | commitdiff
2017-11-29 Adam Sieradzanworking peptide-phosphate tree | commitdiff
2017-11-27 Adam Sieradzanworking side-chain phosphate tree | commitdiff
2017-11-22 Adam Sieradzanworking base with peptide group tree | commitdiff
2017-11-05 Adam Sieradzanworking SC-base energy tree | commitdiff
2017-09-29 Adam Sieradzanworking microcanonical for CA2+ protein tree | commitdiff
2017-08-17 Adam SieradzanMD changes micorcanononical not working tree | commitdiff
2017-08-16 Adam Sieradzanworking gradient tree | commitdiff
2017-08-11 Adam Sieradzanenergi calculation working (no weights!) tree | commitdiff
2017-08-11 Adam Sieradzanworking ESBLOC tree | commitdiff
2017-08-09 Adam Sieradzanworkink EVDW i EES for PP,SB,PSB- warning energies... tree | commitdiff
2017-08-06 Adam Sieradzanworking torsional tree | commitdiff
2017-08-06 Adam Sieradzanadding ebend_nucl to UCGM+some further reading tree | commitdiff
2017-08-02 Adam Sieradzanreading from extended mutliple sequence tree | commitdiff
2017-08-01 Adam SieradzanThe itype(;) extension to itype(:,:) tree | commitdiff
2017-07-31 Adam Sieradzantriss; AFM; Lorentz restrains included -debug might... tree | commitdiff
2017-07-14 Adam Sieradzanworking nano tree | commitdiff
2017-07-06 Adam Sieradzanworking energy for shield and lipid wrong gradient tree | commitdiff
2017-04-25 Adam SieradzanPBC working for EGB (only) tree | commitdiff
2017-04-20 Emilia Lubeckarange of arrays: MaxProcs to NProcs tree | commitdiff
2017-04-20 Emilia Lubeckacorrections of max... ranges of arrays tree | commitdiff
2017-04-14 Cezary CzaplewskiNEWGRAD added to unres Makefile and UNRES_NEWGRAD to... tree | commitdiff
2016-10-14 Cezary Czaplewskiunres_package_Oct_2016 from emilial tree | commitdiff
UNRESPACK 4.x