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correction of xdrf2pdb
[unres.git] / source /
2014-09-10 Adam Sieradzancorrection of xdrf2pdb tree | commitdiff
2014-07-24 Adam Kazimierz Sie... After long DEBUG of energy function tree | commitdiff
2014-07-22 Adam Sieradzancorrection in MD returnbox tree | commitdiff
2014-06-24 Adam Sieradzanbug fix for langevin dynamics tree | commitdiff
2014-06-12 Adam Sieradzancompiling cluster before tests tree | commitdiff
2014-06-10 Adam SieradzanIntroduction of PBC to cluster energy and reading,... tree | commitdiff
2014-06-10 Adam SieradzanBug fix for reading single residue from pdb tree | commitdiff
2014-05-25 Adam Sieradzanzmiany w multichainie tree | commitdiff
2014-05-25 Adam Kazimierz Sie... zmiany, wylaczenie diagnostyki, dzialajacy WHAM tree | commitdiff
2014-05-21 Adam Kazimierz Sie... diagnoza dlaczego WHAM nie dziala tree | commitdiff
2014-05-15 Adam Kazimierz Sie... zmiany w WHAM PBC przed sprawdzeniem differow tree | commitdiff
2014-05-13 Adam SieradzanWylacznie timiningu i sprawdzenie gradientu tree | commitdiff
2014-05-12 Adam Sieradzanpo przyspieszeniu przed checkgradem i sympcheckiem tree | commitdiff
2014-05-08 Adam SieradzanAdjusted energy file (small improvement) tree | commitdiff
2014-05-01 Adam Sieradzanpolepszenie wydajnosci algorytmu PBC tree | commitdiff
2014-03-03 Adam Sieradzanpoprawka w refsysie tree | commitdiff
2014-02-24 Adam SieradzanWorking gradient for PBC tree | commitdiff
2014-02-17 Adam SieradzanThe wrong one gradient compontent... tree | commitdiff
2014-02-08 Adam Sieradzanzmiany w galezi multichain tree | commitdiff
2014-01-29 Adam SieradzanDO zmiany czytanie pisanie i cutoff tree | commitdiff
2013-11-06 Dawid JagielaMerge branch 'devel' of mmka:unres into devel tree | commitdiff
2013-11-06 Dawid Jagielajunk files cleanup tree | commitdiff
2013-11-05 Adam SieradzanMerge branch 'devel' of mmka:unres into devel tree | commitdiff
2013-11-05 Adam SieradzanBugfix for smaller size of memory tree | commitdiff
2013-11-05 Dawid Jagiela deleted: cluster/wham/src-M/permut.o tree | commitdiff
2013-11-05 Adam SieradzanDebug part 11 tree | commitdiff
2013-11-05 Adam SieradzanDebug part 10 tree | commitdiff
2013-11-05 Adam SieradzanDebug part 9 tree | commitdiff
2013-11-05 Adam SieradzanDebug part 8 tree | commitdiff
2013-11-05 Adam SieradzanDebug cd 7 tree | commitdiff
2013-11-05 Adam SieradzanDebug part 7 tree | commitdiff
2013-11-05 Adam SieradzanDebug part 6 tree | commitdiff
2013-11-05 Adam SieradzanDebug part 5 tree | commitdiff
2013-11-05 Adam SieradzanDebug part 4 tree | commitdiff
2013-11-05 Adam SieradzanDebug part 3 tree | commitdiff
2013-11-05 Adam SieradzanDebug part 2 tree | commitdiff
2013-11-05 Adam SieradzanMerge branch 'adasko' into devel tree | commitdiff
2013-11-05 Adam Sieradzanpierwsza proba merga devela do adasko tree | commitdiff
2013-11-05 Adam SieradzanDostosowanie w src whama i clustra tree | commitdiff
2013-10-30 Cezary CzaplewskiMakefile for pgi 2013 tree | commitdiff
2013-10-30 Cezary CzaplewskiMerge branch 'devel' of mmka:unres into devel tree | commitdiff
2013-10-30 Cezary Czaplewskitesting Makefile for pgi compiler tree | commitdiff
2013-09-22 Dawid Jagielashow_UNRES.py - large loops speedup by using xrange tree | commitdiff
2013-09-02 Dawid Jagielaresolved conflicts in: source/unres/src_MD/CMakeLists.txt tree | commitdiff
2013-09-02 Cezary Czaplewskirepair of broken merge tree | commitdiff
2013-09-02 Cezary CzaplewskiMerge branch 'devel' of mmka:unres into devel tree | commitdiff
2013-09-02 Cezary Czaplewskimerging devel tree | commitdiff
2013-08-31 Adam Kazimierz Sie... 1)Clean-up 2)making similar src_MD and its multichain... tree | commitdiff
2013-08-31 Adam Kazimierz Sie... Merge branch 'adasko' of mmka.chem.univ.gda.pl:unres... tree | commitdiff
2013-08-31 Adam Kazimierz Sie... Clean-up in parmread for src-MD and src-MD-M tree | commitdiff
2013-08-23 Dawid JagielaFix to use native system xdr headers tree | commitdiff
2013-07-25 Dawid Jagielatest name changed for unres MD DFA version tree | commitdiff
2013-07-25 Dawid Jagielatest name changed for unres MD DFA version tree | commitdiff
2013-07-25 Dawid JagielaMerge branch 'prerelease-3.2.1' into devel tree | commitdiff
2013-07-25 Dawid JagielaMerge branch 'prerelease-3.2.1' into devel tree | commitdiff
2013-07-25 Dawid Jagielafixed WHAM for gfortran: src/energy_p_new.F tree | commitdiff
2013-07-25 Dawid Jagielafixed WHAM for gfortran: src/energy_p_new.F tree | commitdiff
2013-07-16 Adam SieradzanNIE PEWNE ZMIANY ZWERYFIKUJ!! tree | commitdiff
2013-06-28 Adam Kazimierz Sie... Just few comments added to WHAM to clarify tree | commitdiff
2013-06-28 Adam Kazimierz Sie... Just few comments added to WHAM to clarify tree | commitdiff
2013-06-28 Adam Kazimierz Sie... Bugfix for SS wham and introduction SS to cluster analysis tree | commitdiff
2013-06-28 Adam Kazimierz Sie... Bugfix for SS wham and introduction SS to cluster analysis tree | commitdiff
2013-06-25 Adam Kazimierz Sie... Dodanie dynamic disulfide to WHAM tree | commitdiff
2013-06-25 Adam Kazimierz Sie... Dodanie dynamic disulfide to WHAM tree | commitdiff
2013-05-07 Cezary Czaplewskisome corrections in xdrf2pdb-m for dyn_ss tree | commitdiff
2013-05-07 Cezary Czaplewskisome corrections in xdrf2pdb-m for dyn_ss tree | commitdiff
2013-04-30 Cezary CzaplewskiMerge branch 'prerelease-3.2.1' of mmka:unres into... tree | commitdiff
2013-04-30 Cezary CzaplewskiMerge branch 'prerelease-3.2.1' of mmka:unres into... tree | commitdiff
2013-04-30 Cezary Czaplewskitesting ssbond in cx tree | commitdiff
2013-04-30 Cezary Czaplewskitesting ssbond in cx tree | commitdiff
2013-04-15 Dawid Jagielachanged SCCORPAR to shelly potentials in GAB & 12LY... tree | commitdiff
2013-04-15 Dawid Jagielachanged SCCORPAR to shelly potentials in GAB & 12LY... tree | commitdiff
2013-04-12 Dawid Jagielaadded default preprocessor flags for unknown compilers tree | commitdiff
2013-04-12 Dawid Jagielaadded default preprocessor flags for unknown compilers tree | commitdiff
2013-04-11 Dawid Jagielaadded REMD/MREMD input generation in UNRESInpGen.py tree | commitdiff
2013-04-11 Dawid Jagielaadded REMD/MREMD input generation in UNRESInpGen.py tree | commitdiff
2013-04-08 Cezary Czaplewskicorrect writing of dyn_ss for cx and x tree | commitdiff
2013-04-08 Cezary Czaplewskicorrect writing of dyn_ss for cx and x tree | commitdiff
2013-03-07 Dawid Jagielaadded OVERLAP and NOSEARCHSC options in UNRESInpGen.py tree | commitdiff
2013-03-07 Dawid Jagielaadded OVERLAP and NOSEARCHSC options in UNRESInpGen.py tree | commitdiff
2013-03-06 Dawid JagielaAdded minimazation support to UNRESInpGen.py tree | commitdiff
2013-03-06 Dawid JagielaAdded minimazation support to UNRESInpGen.py tree | commitdiff
2013-03-05 Dawid Jagielaadded glicyne support in show_UNRES.py tree | commitdiff
2013-03-05 Dawid Jagielaadded glicyne support in show_UNRES.py tree | commitdiff
2013-02-28 Dawid JagielaMerge branch 'devel' of mmka:unres into devel tree | commitdiff
2013-02-28 Dawid JagielaMerge branch 'devel' of mmka:unres into devel tree | commitdiff
2013-02-28 Dawid Jagielafixed ray-tracing bug and size of ellipoids in show_UNR... tree | commitdiff
2013-02-28 Dawid Jagielafixed ray-tracing bug and size of ellipoids in show_UNR... tree | commitdiff
2013-02-19 Cezary Czaplewskicleaning of gfortran warnings in src_MD_DFA tree | commitdiff
2013-02-19 Cezary Czaplewskicleaning of gfortran warnings in src_MD_DFA tree | commitdiff
2013-02-19 Cezary Czaplewskicleaning of gfortran warnings tree | commitdiff
2013-02-19 Cezary Czaplewskicleaning of gfortran warnings tree | commitdiff
2013-02-19 Cezary Czaplewskicopy DFA cleaning of types from CSA to MD tree | commitdiff
2013-02-19 Cezary Czaplewskicopy DFA cleaning of types from CSA to MD tree | commitdiff
2013-02-19 Cezary Czaplewskirepairs error in merge tree | commitdiff
2013-02-19 Cezary Czaplewskirepairs error in merge tree | commitdiff
2013-02-19 Cezary CzaplewskiMerge branch 'prerelease-3.2.1' into devel tree | commitdiff
2013-02-19 Cezary CzaplewskiMerge branch 'prerelease-3.2.1' into devel tree | commitdiff
2013-02-19 Cezary Czaplewskidyn_ss and other finegrain printout cleaning tree | commitdiff
2013-02-19 Cezary Czaplewskidyn_ss and other finegrain printout cleaning tree | commitdiff
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UNRESPACK 3.x