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2013-02-06
Bartlomiej Zaborowski
Files to working MD_DFA
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commitdiff
2013-02-06
Dawid Jagiela
added pymol/UNRESInpGen.py - generates inputs for MD
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commitdiff
2013-02-06
Dawid Jagiela
added pymol/UNRESInpGen.py - generates inputs for MD
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commitdiff
2013-01-10
Dawid Jagiela
fixed missing closing bracket
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commitdiff
2013-01-10
Dawid Jagiela
fixed missing closing bracket
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commitdiff
2013-01-10
Dawid Jagiela
WHAM -DISNAN fix
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commitdiff
2013-01-10
Dawid Jagiela
WHAM -DISNAN fix
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commitdiff
2013-01-10
Dawid Jagiela
added UNRES_MD_FF setting for WHAM in (wham & cluster...
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commitdiff
2013-01-10
Dawid Jagiela
added UNRES_MD_FF setting for WHAM in (wham & cluster...
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commitdiff
2013-01-06
Adam Sieradzan
Wprowadzenie do Clustrowania D-aminokwasow w polu Yi
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commitdiff
2012-12-19
Dawid Jagiela
poprawki w COMMONAch
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commitdiff
2012-12-19
Dawid Jagiela
poprawki w COMMONAch
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commitdiff
2012-12-18
Adam Sieradzan
Usuniecie diagnostyki
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commitdiff
2012-12-12
Adam Kazimierz Sie...
debud OFF
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commitdiff
2012-12-12
Adam Kazimierz Sie...
Merge branch 'adasko' of mmka.chem.univ.gda.pl:unres...
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commitdiff
2012-12-12
Andrei Niadzvedtski
debug ON w MD
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commitdiff
2012-12-12
Adam Kazimierz Sie...
Merge branch 'adasko' of mmka.chem.univ.gda.pl:unres...
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commitdiff
2012-12-10
Adam Sieradzan
zmiana w komonie
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commitdiff
2012-12-10
Adam Sieradzan
zmiana w COMMONIE
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commitdiff
2012-12-06
Adam Kazimierz Sie...
Merge branch 'adasko' of mmka.chem.univ.gda.pl:unres...
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commitdiff
2012-12-06
Adam Sieradzan
bugfix w whamie w parmreadzie
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commitdiff
2012-12-06
Adam Kazimierz Sie...
zmiany w xdrfie
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commitdiff
2012-12-06
Adam Sieradzan
bugfix przekroczenia granic
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commitdiff
2012-12-05
Adam Sieradzan
zmaina w xdrf
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commitdiff
2012-12-04
Adam Sieradzan
bugfix w contact parm
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commitdiff
2012-12-03
Andrei Niadzvedtski
Zmiany w COMMONach
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commitdiff
2012-12-03
Adam Kazimierz Sie...
poprawka w liczbie ntyp
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commitdiff
2012-12-03
Andrei Niadzvedtski
Zmiana w wham-m dla pola Yi
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commitdiff
2012-12-03
Adam Kazimierz Sie...
Zmiany do WHAM-M dla pola Yi
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commitdiff
2012-11-30
Adam Sieradzan
zmiana w symetry (bugfix)
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commitdiff
2012-11-26
Adam Kazimierz Sie...
Usuniecie diagnostyki w dzialajacym polu yi src_MD-M
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commitdiff
2012-11-23
Dawid Jagiela
gfortran fixes in local_move.f, energy_p_new.F & initia...
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commitdiff
2012-11-23
Dawid Jagiela
gfortran fixes in local_move.f, energy_p_new.F & initia...
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commitdiff
2012-11-23
Adam Kazimierz Sie...
Dzialajace gradient dla src_MD-M dla pola Yi
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commitdiff
2012-11-23
Dawid Jagiela
gfortran foxes in src_CSA/energy_p_new_barrier.F, src_C...
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commitdiff
2012-11-23
Dawid Jagiela
gfortran foxes in src_CSA/energy_p_new_barrier.F, src_C...
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commitdiff
2012-11-23
Dawid Jagiela
fixed typos in initialize_p.F
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commitdiff
2012-11-23
Dawid Jagiela
fixed typos in initialize_p.F
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commitdiff
2012-11-23
Adam Sieradzan
zmiany w cmake i poprawka w pramreadzie
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commitdiff
2012-11-23
Dawid Jagiela
gfortran fixes in src_CSA for initialize_p.F
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commitdiff
2012-11-23
Dawid Jagiela
gfortran fixes in src_CSA for initialize_p.F
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commitdiff
2012-11-23
Dawid Jagiela
gfortran fixes for src_MD-M
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commitdiff
2012-11-23
Dawid Jagiela
gfortran fixes for src_MD-M
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commitdiff
2012-11-23
Dawid Jagiela
fix 80 column in initialize_p.F
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commitdiff
2012-11-23
Dawid Jagiela
fix 80 column in initialize_p.F
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commitdiff
2012-11-23
Dawid Jagiela
gfortran fixes in initialize_p.F for src_MD-M
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commitdiff
2012-11-23
Dawid Jagiela
gfortran fixes in initialize_p.F for src_MD-M
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commitdiff
2012-11-23
Dawid Jagiela
alignment fixes in COMMON.CHAIN for src_MD-M
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commitdiff
2012-11-23
Dawid Jagiela
alignment fixes in COMMON.CHAIN for src_MD-M
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commitdiff
2012-11-23
Dawid Jagiela
alignment fixes in COMMON.CHAIN for src_MD-M
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commitdiff
2012-11-23
Dawid Jagiela
alignment fixes in COMMON.CHAIN for src_MD-M
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commitdiff
2012-11-23
Dawid Jagiela
gfortran fixes in initialize_p.F for MPI
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commitdiff
2012-11-23
Dawid Jagiela
gfortran fixes in initialize_p.F for MPI
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commitdiff
2012-11-23
Dawid Jagiela
some gfortran warning fixes
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commitdiff
2012-11-23
Dawid Jagiela
some gfortran warning fixes
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commitdiff
2012-11-23
Dawid Jagiela
some gfortran warning fixes
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commitdiff
2012-11-23
Dawid Jagiela
some gfortran warning fixes
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commitdiff
2012-11-23
Adam Sieradzan
Merge branch 'adasko' of mmka:unres into adasko
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commitdiff
2012-11-23
Adam Sieradzan
zmiana w parmread
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commitdiff
2012-11-23
Dawid Jagiela
force legacy standard for gfortran
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commitdiff
2012-11-23
Dawid Jagiela
force legacy standard for gfortran
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commitdiff
2012-11-23
Dawid Jagiela
gfortran legacy standard enforcement
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commitdiff
2012-11-23
Dawid Jagiela
gfortran legacy standard enforcement
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commitdiff
2012-11-23
Andrei Niadzvedtski
Merge branch 'adasko' of mmka:unres into adasko
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commitdiff
2012-11-23
Andrei Niadzvedtski
drobna zmiana cmake
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commitdiff
2012-11-22
Adam Sieradzan
zminy w cmake
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commitdiff
2012-11-22
Adam Kazimierz Sie...
zmiany najnowsze
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commitdiff
2012-11-21
Adam Kazimierz Sie...
Nowe potencjaly walencyjne dla pola Yi uwzgledniajace...
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commitdiff
2012-11-08
Adam Liwo
Merge branch 'devel' of mmka.chem.univ.gda.pl:unres...
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commitdiff
2012-11-08
Adam Liwo
Merge branch 'devel' of mmka.chem.univ.gda.pl:unres...
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commitdiff
2012-11-08
Adam Liwo
8/11/12 by Adam: fixed disulfide bridge problems
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commitdiff
2012-11-08
Adam Liwo
8/11/12 by Adam: fixed disulfide bridge problems
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commitdiff
2012-11-07
Dawid Jagiela
force legacy standard for gfortran
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commitdiff
2012-11-07
Dawid Jagiela
force legacy standard for gfortran
tree
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commitdiff
2012-11-07
Dawid Jagiela
gfortran legacy standard enforcement
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commitdiff
2012-11-07
Dawid Jagiela
gfortran legacy standard enforcement
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commitdiff
2012-11-05
Dawid Jagiela
alignment fix in src_MD COMMON.SCCOR
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commitdiff
2012-11-05
Dawid Jagiela
alignment fix in src_MD COMMON.SCCOR
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commitdiff
2012-11-05
Dawid Jagiela
alignment fixes in src_MD COMMONs
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commitdiff
2012-11-05
Dawid Jagiela
alignment fixes in src_MD COMMONs
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commitdiff
2012-10-31
Dawid Jagiela
fix tcpu function in cluster/wham for gfortran
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commitdiff
2012-10-31
Dawid Jagiela
fix tcpu function in cluster/wham for gfortran
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commitdiff
2012-10-31
Dawid Jagiela
Merge branch 'devel' of mmka:unres into devel
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commitdiff
2012-10-31
Dawid Jagiela
Merge branch 'devel' of mmka:unres into devel
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commitdiff
2012-10-31
Dawid Jagiela
tcpu function fix for gfortran
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commitdiff
2012-10-31
Dawid Jagiela
tcpu function fix for gfortran
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commitdiff
2012-10-31
Dawid Jagiela
CMake makro cinfo.f fix
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commitdiff
2012-10-31
Dawid Jagiela
CMake makro cinfo.f fix
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commitdiff
2012-10-30
Dawid Jagiela
CMake unres/src_MIN missing sources fix
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commitdiff
2012-10-30
Dawid Jagiela
CMake unres/src_MIN missing sources fix
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commitdiff
2012-10-30
Adam Kazimierz Sie...
pseudosymetria D-aminokwasow dla potencjalow SCCOR
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commitdiff
2012-10-30
Adam Kazimierz Sie...
dodanie czytania wagi wsccor do clustrowania-M
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commitdiff
2012-10-30
Adam Kazimierz Sie...
Wstawnieni SCCOR dla clustrowania. Nie wiadomo czy...
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commitdiff
2012-10-29
Adam Kazimierz Sie...
Wprowadzenie SCCOR dla wham-M
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commitdiff
2012-10-26
Adam Kazimierz Sie...
liczenie tauangle
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commitdiff
2012-10-26
Adam Kazimierz Sie...
Rozgrzebany SCCOR dla wham-M
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commitdiff
2012-10-17
Adam Kazimierz Sie...
Poprawka w Cmakelist
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commitdiff
2012-10-17
Adam Kazimierz Sie...
Poprawka w Cmakelist
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commitdiff
2012-10-17
Adam Liwo
10/17/2012 by Adam: Implemented sideadd correction...
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commitdiff
2012-10-17
Adam Liwo
10/17/2012 by Adam: Implemented sideadd correction...
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commitdiff
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