zmiany w WHAM PBC przed sprawdzeniem differow
[unres.git] / source / unres / src_MD-M /
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
2014-03-03 Adam Sieradzanpoprawka w refsysie
2014-02-24 Adam SieradzanWorking gradient for PBC
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 Jagielajunk files cleanup
2013-11-05 Adam SieradzanDebug part 5
2013-11-05 Adam Sieradzanpierwsza proba merga devela do adasko
2013-08-31 Adam Kazimierz Sie... 1)Clean-up 2)making similar src_MD and its multichain...
2013-08-31 Adam Kazimierz Sie... Merge branch 'adasko' of mmka.chem.univ.gda.pl:unres...
2013-08-31 Adam Kazimierz Sie... Clean-up in parmread for src-MD and src-MD-M
2013-07-16 Adam SieradzanNIE PEWNE ZMIANY ZWERYFIKUJ!!
2013-04-12 Dawid Jagielaadded default preprocessor flags for unknown compilers
2013-04-12 Dawid Jagielaadded default preprocessor flags for unknown compilers
2013-02-18 Adam Liwo8/11/12 by Adam: fixed disulfide bridge problems
2013-02-18 Adam Liwo8/11/12 by Adam: fixed disulfide bridge problems
2013-02-17 Adam LiwoFixed the addition of dummy chain ends to structures...
2013-02-17 Adam LiwoFixed the addition of dummy chain ends to structures...
2013-02-17 Adam LiwoMerge branch 'devel' of mmka.chem.univ.gda.pl:unres...
2013-02-17 Adam LiwoMerge branch 'devel' of mmka.chem.univ.gda.pl:unres...
2013-02-17 Adam LiwoFixed the addition of dummy chain ends to structures...
2013-02-17 Adam LiwoFixed the addition of dummy chain ends to structures...
2013-02-16 Cezary Czaplewskino type declaration in common
2013-02-16 Cezary Czaplewskino type declaration in common
2013-02-16 Cezary Czaplewskisrc_MD-M compiles with old Makefile and common sccor...
2013-02-16 Cezary Czaplewskisrc_MD-M compiles with old Makefile and common sccor...
2013-02-14 Cezary Czaplewskicompilation only
2013-02-14 Cezary Czaplewskicompilation only
2012-12-18 Adam SieradzanUsuniecie diagnostyki
2012-12-12 Adam Kazimierz Sie... debud OFF
2012-12-12 Andrei Niadzvedtskidebug ON w MD
2012-12-10 Adam Sieradzanzmiana w komonie
2012-12-06 Adam Sieradzanbugfix w whamie w parmreadzie
2012-12-06 Adam Sieradzanbugfix przekroczenia granic
2012-12-05 Adam Sieradzanzmaina w xdrf
2012-12-04 Adam Sieradzanbugfix w contact parm
2012-12-03 Andrei NiadzvedtskiZmiana w wham-m dla pola Yi
2012-11-30 Adam Sieradzanzmiana w symetry (bugfix)
2012-11-26 Adam Kazimierz Sie... Usuniecie diagnostyki w dzialajacym polu yi src_MD-M
2012-11-23 Dawid Jagielagfortran fixes in local_move.f, energy_p_new.F & initia...
2012-11-23 Dawid Jagielagfortran fixes in local_move.f, energy_p_new.F & initia...
2012-11-23 Adam Kazimierz Sie... Dzialajace gradient dla src_MD-M dla pola Yi
2012-11-23 Dawid Jagielagfortran foxes in src_CSA/energy_p_new_barrier.F, src_C...
2012-11-23 Dawid Jagielagfortran foxes in src_CSA/energy_p_new_barrier.F, src_C...
2012-11-23 Dawid Jagielagfortran fixes for src_MD-M
2012-11-23 Dawid Jagielagfortran fixes for src_MD-M
2012-11-23 Dawid Jagielafix 80 column in initialize_p.F
2012-11-23 Dawid Jagielafix 80 column in initialize_p.F
2012-11-23 Dawid Jagielagfortran fixes in initialize_p.F for src_MD-M
2012-11-23 Dawid Jagielagfortran fixes in initialize_p.F for src_MD-M
2012-11-23 Dawid Jagielaalignment fixes in COMMON.CHAIN for src_MD-M
2012-11-23 Dawid Jagielaalignment fixes in COMMON.CHAIN for src_MD-M
2012-11-23 Dawid Jagielaalignment fixes in COMMON.CHAIN for src_MD-M
2012-11-23 Dawid Jagielaalignment fixes in COMMON.CHAIN for src_MD-M
2012-11-23 Dawid Jagielaforce legacy standard for gfortran
2012-11-23 Dawid Jagielaforce legacy standard for gfortran
2012-11-23 Andrei NiadzvedtskiMerge branch 'adasko' of mmka:unres into adasko
2012-11-23 Andrei Niadzvedtskidrobna zmiana cmake
2012-11-22 Adam Sieradzanzminy w cmake
2012-11-22 Adam Kazimierz Sie... zmiany najnowsze
2012-11-21 Adam Kazimierz Sie... Nowe potencjaly walencyjne dla pola Yi uwzgledniajace...
2012-11-08 Adam LiwoMerge branch 'devel' of mmka.chem.univ.gda.pl:unres...
2012-11-08 Adam LiwoMerge branch 'devel' of mmka.chem.univ.gda.pl:unres...
2012-11-08 Adam Liwo8/11/12 by Adam: fixed disulfide bridge problems
2012-11-08 Adam Liwo8/11/12 by Adam: fixed disulfide bridge problems
2012-11-07 Dawid Jagielaforce legacy standard for gfortran
2012-11-07 Dawid Jagielaforce legacy standard for gfortran
2012-10-31 Dawid JagielaCMake makro cinfo.f fix
2012-10-31 Dawid JagielaCMake makro cinfo.f fix
2012-10-29 Adam Kazimierz Sie... Wprowadzenie SCCOR dla wham-M
2012-10-17 Adam Kazimierz Sie... Poprawka w Cmakelist
2012-10-17 Adam Kazimierz Sie... Poprawka w Cmakelist
2012-10-16 Adam Kazimierz Sie... new file for new residues and corrected ACE reading
2012-10-15 Adam Kazimierz Sie... Wprowadzenie DBZ,SME,ABU i AIB
2012-10-05 Adam Kazimierz Sie... Poprawiony SCR_MD-M i dzialajacy
2012-10-04 Adam Kazimierz Sie... Wprowadznie potencjalow SC-COR do multichain oraz ich...
2012-10-02 Adam Kazimierz Sie... zmiany 20 na typ w src_md-M
2012-08-31 Adam Kazimierz Sie... Zmiana 21 na ntyp1 w unres SRC_MD oraz SRC_MD-M
2012-08-24 Adam Kazimierz Sie... Dzialajaczy dla D aminokwasow whama(mono) psuedosymetri...
2012-08-20 Dawid Jagiela1. cmake cinfo.f generation for all sources 2. deleted...
2012-08-20 Dawid Jagiela1. cmake cinfo.f generation for all sources 2. deleted...
2012-08-17 Adam Kazimierz Sie... Wham po zmianach i dzialajac dla D aminokwasow i BEZ...
2012-08-07 Adam Kazimierz Sie... Running D-aminoacid after passed tests. Still problem...
2012-07-19 Dawid Jagielacinfo.f generation and macro for unres MD
2012-07-19 Dawid Jagielacinfo.f generation and macro for unres MD
2012-06-18 Adam LiwoMerge branch 'devel' of mmka.chem.univ.gda.pl:unres...
2012-06-18 Adam LiwoMerge branch 'devel' of mmka.chem.univ.gda.pl:unres...
2012-06-14 Adam Liwo6/14/2012 by Adam
2012-06-14 Adam Liwo6/14/2012 by Adam
2012-05-27 Dawid Jagielacompile_definitions workaround (cmake does not pass...
2012-05-26 Dawid Jagielaadded header for proc_proc.c
2012-05-26 Dawid JagielaEOF warning fix
2012-05-26 Dawid Jagielacompinfo.c rewrite
2012-05-26 Dawid Jagielavoid cast on fgets & fscanf in compinfo.c
2012-05-26 Dawid Jagielacompinfo.c warning supresion
2012-05-14 Dawid Jagielaascii frames closed: unres/src_MD-M/energy_p_new_barr...
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