unres.git
2014-09-11 Adam Kazimierz... poprawka w triss
2014-07-24 Adam Kazimierz... After long DEBUG of energy function
2014-07-22 Adam Sieradzancorrection in MD returnbox
2014-06-24 Adam Sieradzanbug fix for langevin dynamics
2014-06-17 Adam Kazimierz... doadany sccor_am1 do PBC (needs veryfy)
2014-06-12 Adam Sieradzancompiling cluster before tests
2014-06-10 Adam SieradzanIntroduction of PBC to cluster energy and reading,...
2014-06-10 Adam SieradzanBug fix for reading single residue from pdb
2014-05-25 Adam Sieradzanzmiany w multichainie
2014-05-25 Adam Kazimierz... zmiany, wylaczenie diagnostyki, dzialajacy WHAM
2014-05-21 Adam Kazimierz... diagnoza dlaczego WHAM nie dziala
2014-05-15 Adam Kazimierz... zmiany w WHAM PBC przed sprawdzeniem differow
2014-05-13 Adam SieradzanWylacznie timiningu i sprawdzenie gradientu
2014-05-12 Adam Sieradzanpo przyspieszeniu przed checkgradem i sympcheckiem
2014-05-08 Adam SieradzanAdjusted energy file (small improvement)
2014-05-01 Adam Sieradzanpolepszenie wydajnosci algorytmu PBC
2014-03-04 Adam Sieradzanignorowanie build theta
2014-03-03 Adam Sieradzanpoprawka w refsysie
2014-02-24 Adam SieradzanWorking gradient for PBC
2014-02-20 Adam SieradzanDrobne zmiany i dodanei parametrow dla dummy atom
2014-02-17 Adam SieradzanThe wrong one gradient compontent...
2014-02-08 Adam Sieradzanzmiany w galezi multichain
2014-01-29 Adam SieradzanDO zmiany czytanie pisanie i cutoff
2013-11-06 Dawid JagielaMerge branch 'devel' of mmka:unres into devel
2013-11-06 Dawid Jagielajunk files cleanup
2013-11-05 Adam SieradzanMerge branch 'devel' of mmka:unres into devel
2013-11-05 Adam SieradzanBugfix for smaller size of memory
2013-11-05 Dawid Jagiela deleted: cluster/wham/src-M/permut.o
2013-11-05 Adam SieradzanDebug part 11
2013-11-05 Adam SieradzanDebug part 10
2013-11-05 Adam SieradzanDebug part 9
2013-11-05 Adam SieradzanDebug part 8
2013-11-05 Adam SieradzanDebug cd 7
2013-11-05 Adam SieradzanDebug part 7
2013-11-05 Adam SieradzanDebug part 6
2013-11-05 Adam SieradzanDebug part 5
2013-11-05 Adam SieradzanDebug part 4
2013-11-05 Adam SieradzanDebug part 3
2013-11-05 Adam SieradzanDebug part 2
2013-11-05 Adam SieradzanMerge branch 'adasko' into devel
2013-11-05 Adam SieradzanMerge branch 'devel' of mmka:unres into devel
2013-11-05 Adam Sieradzanignorowanie build2
2013-11-05 Adam Sieradzanpierwsza proba merga devela do adasko
2013-11-05 Adam SieradzanDostosowanie w src whama i clustra
2013-11-05 Adam SieradzanMerge branch 'adasko' of mmka:unres into adasko
2013-10-30 Cezary CzaplewskiMakefile for pgi 2013
2013-10-30 Cezary CzaplewskiMerge branch 'devel' of mmka:unres into devel
2013-10-30 Cezary Czaplewskitesting Makefile for pgi compiler
2013-10-16 Adam Sieradzandrobnostki w ext theta (cofniete)
2013-09-22 Dawid Jagielashow_UNRES.py - large loops speedup by using xrange
2013-09-02 Dawid JagielaMerge branch 'devel' of mmka:unres into devel
2013-09-02 Dawid Jagielaresolved conflicts in: source/unres/src_MD/CMakeLists.txt
2013-09-02 Cezary Czaplewskirepair of broken merge
2013-09-02 Cezary CzaplewskiMerge branch 'devel' of mmka:unres into devel
2013-09-02 Cezary Czaplewskimerging devel
2013-09-02 Adam Kazimierz... Zmiany w pliku sccor_am1_pawel.dat
2013-08-31 Adam Kazimierz... 1)Clean-up 2)making similar src_MD and its multichain...
2013-08-31 Dawid JagielaMerge branch 'devel' of mmka:unres into devel
2013-08-31 Adam Kazimierz... Merge branch 'adasko' of mmka.chem.univ.gda.pl:unres...
2013-08-31 Adam Kazimierz... Merge mmka.chem.univ.gda.pl:unres into adasko
2013-08-31 Adam Kazimierz... Clean-up in parmread for src-MD and src-MD-M
2013-08-23 Dawid JagielaMerge branch 'devel' of mmka:unres into devel
2013-08-23 Dawid JagielaFix to use native system xdr headers
2013-08-12 Adam Sieradzannew tosrional double torsional and valence
2013-08-12 Adam Sieradzannew tosrional double torsional and valence
2013-07-25 Dawid Jagielatest name changed for unres MD DFA version
2013-07-25 Dawid Jagielatest name changed for unres MD DFA version
2013-07-25 Dawid JagielaMerge branch 'prerelease-3.2.1' into devel
2013-07-25 Dawid JagielaMerge branch 'prerelease-3.2.1' into devel
2013-07-25 Dawid Jagielafixed WHAM for gfortran: src/energy_p_new.F
2013-07-25 Dawid Jagielafixed WHAM for gfortran: src/energy_p_new.F
2013-07-16 Adam SieradzanNIE PEWNE ZMIANY ZWERYFIKUJ!!
2013-06-28 Adam Kazimierz... Just few comments added to WHAM to clarify
2013-06-28 Adam Kazimierz... Just few comments added to WHAM to clarify
2013-06-28 Adam Kazimierz... Bugfix for SS wham and introduction SS to cluster analysis
2013-06-28 Adam Kazimierz... Bugfix for SS wham and introduction SS to cluster analysis
2013-06-25 Adam Kazimierz... Dodanie dynamic disulfide to WHAM
2013-06-25 Adam Kazimierz... Dodanie dynamic disulfide to WHAM
2013-05-07 Cezary Czaplewskisome corrections in xdrf2pdb-m for dyn_ss
2013-05-07 Cezary Czaplewskisome corrections in xdrf2pdb-m for dyn_ss
2013-04-30 Cezary CzaplewskiMerge branch 'prerelease-3.2.1' of mmka:unres into...
2013-04-30 Cezary CzaplewskiMerge branch 'prerelease-3.2.1' of mmka:unres into...
2013-04-30 Cezary Czaplewskitesting ssbond in cx
2013-04-30 Cezary Czaplewskitesting ssbond in cx
2013-04-18 Dawid Jagielarestructured examples
2013-04-18 Dawid Jagielarestructured examples
2013-04-15 Dawid Jagielachanged SCCORPAR to shelly potentials in GAB & 12LY...
2013-04-15 Dawid Jagielachanged SCCORPAR to shelly potentials in GAB & 12LY...
2013-04-12 Dawid Jagielaadded default preprocessor flags for unknown compilers
2013-04-12 Dawid Jagielaadded default preprocessor flags for unknown compilers
2013-04-11 Dawid Jagielaadded REMD/MREMD input generation in UNRESInpGen.py
2013-04-11 Dawid Jagielaadded REMD/MREMD input generation in UNRESInpGen.py
2013-04-08 Cezary Czaplewskicorrect writing of dyn_ss for cx and x
2013-04-08 Cezary Czaplewskicorrect writing of dyn_ss for cx and x
2013-03-07 Dawid Jagielaadded OVERLAP and NOSEARCHSC options in UNRESInpGen.py
2013-03-07 Dawid Jagielaadded OVERLAP and NOSEARCHSC options in UNRESInpGen.py
2013-03-06 Dawid JagielaAdded minimazation support to UNRESInpGen.py
2013-03-06 Dawid JagielaAdded minimazation support to UNRESInpGen.py
2013-03-05 Dawid Jagielaadded glicyne support in show_UNRES.py
2013-03-05 Dawid Jagielaadded glicyne support in show_UNRES.py
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