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Merge branch 'devel' of mmka.chem.univ.gda.pl:unres into devel
[unres.git]
/
source
/
unres
/
2013-02-17
Adam Liwo
Merge branch 'devel' of mmka.chem.univ.gda.pl:unres...
tree
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commitdiff
2013-02-17
Adam Liwo
Fixed the addition of dummy chain ends to structures...
tree
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commitdiff
2013-02-16
Cezary Czaplewski
small changes to compile in gfortran
tree
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commitdiff
2013-02-07
Bartlomiej Zaborowski
kosmetyczne zmiany do MD_DFA
tree
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commitdiff
2013-02-06
Bartlomiej Zaborowski
Files to working MD_DFA
tree
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commitdiff
2012-11-23
Dawid Jagiela
alignment fixes in COMMON.CHAIN for src_MD-M
tree
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commitdiff
2012-11-23
Dawid Jagiela
some gfortran warning fixes
tree
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commitdiff
2012-11-08
Adam Liwo
Merge branch 'devel' of mmka.chem.univ.gda.pl:unres...
tree
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commitdiff
2012-11-08
Adam Liwo
8/11/12 by Adam: fixed disulfide bridge problems
tree
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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
gfortran legacy standard enforcement
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commitdiff
2012-11-05
Dawid Jagiela
alignment fix in src_MD COMMON.SCCOR
tree
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commitdiff
2012-11-05
Dawid Jagiela
alignment fixes in src_MD COMMONs
tree
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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
tree
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commitdiff
2012-10-17
Adam Kazimierz Sie...
Poprawka w Cmakelist
tree
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commitdiff
2012-10-17
Adam Liwo
10/17/2012 by Adam: Implemented sideadd correction...
tree
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commitdiff
2012-10-17
Adam Liwo
Merge branch 'devel' of mmka.chem.univ.gda.pl:unres...
tree
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commitdiff
2012-10-17
Adam Liwo
Merge branch 'adam' into devel
tree
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commitdiff
2012-10-17
Adam Liwo
Commit 10/17/12 Adam
tree
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commitdiff
2012-10-06
Bartlomiej Zaborowski
Small changes in source src_CSA_DiL. Compilation works now
tree
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commitdiff
2012-10-03
Bartlomiej Zaborowski
Fixed Cmake variable
tree
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commitdiff
2012-10-03
Bartlomiej Zaborowski
1. Fixed merge conflicts
tree
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commitdiff
2012-10-02
Bartlomiej Zaborowski
Merge branch 'bartek' into devel
tree
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commitdiff
2012-10-02
Bartlomiej Zaborowski
Merge branch 'bartek2' into bartek
tree
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commitdiff
2012-10-02
Bartlomiej Zaborowski
zmiana do DiL
tree
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commitdiff
2012-10-02
Bartlomiej Zaborowski
Rozgrzebany DIL
tree
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commitdiff
2012-10-02
Bartlomiej Zaborowski
D i L aminokwasy dzialajace dla src_CSA
tree
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commitdiff
2012-10-01
Adam Liwo
Commit 10/1/12
tree
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commitdiff
2012-09-26
Bartlomiej Zaborowski
"DiL zmiana w param read i tuz przed testami"
tree
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commitdiff
2012-09-26
Bartlomiej Zaborowski
"Przygotowanie CSA do D i L aminokwasow"
tree
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commitdiff
2012-09-20
Adam Liwo
Merge branch 'devel' of mmka.chem.univ.gda.pl:unres...
tree
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commitdiff
2012-09-20
Adam Liwo
Update
tree
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commitdiff
2012-09-20
Adam Liwo
Sept 20/2012 by Adam: commit changes mostly in the...
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commitdiff
2012-08-20
Dawid Jagiela
1. cmake cinfo.f generation for all sources 2. deleted...
tree
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commitdiff
2012-08-08
Bartlomiej Zaborowski
CASP3 force field deleted. Fixed merge conflicts.
tree
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commitdiff
2012-08-08
Bartlomiej Zaborowski
Old force fields removed, new ones (GAB, E0LL2Y) added.
tree
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commitdiff
2012-07-19
Dawid Jagiela
cinfo.f generation and macro for unres MD
tree
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commitdiff
2012-07-18
Adam Liwo
Merge branch 'devel' into adam
tree
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commitdiff
2012-07-18
Adam Liwo
Implement minor changes on branch adam
tree
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commitdiff
2012-07-18
Adam Kazimierz Sie...
Revert "Merge branch 'adasko' into devel"
tree
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commitdiff
2012-07-17
Adam Kazimierz Sie...
Merge branch 'adasko' into devel
tree
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commitdiff
2012-07-17
Adam Kazimierz Sie...
D i L aminokwasy dzialajace dla src_MD
tree
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commitdiff
2012-07-09
Adam Kazimierz Sie...
D i L aminokwasy tuz przed testami
tree
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commitdiff
2012-07-06
Adam Kazimierz Sie...
zmiana do DiL
tree
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commitdiff
2012-07-05
Adam Liwo
Merge branch 'adam' into devel
tree
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commitdiff
2012-07-05
Adam Liwo
Minor change
tree
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commitdiff
2012-07-05
Adam Liwo
Minor change
tree
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commitdiff
2012-07-05
Adam Kazimierz Sie...
zmiana binarki...
tree
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commitdiff
2012-07-05
Adam Liwo
Merge branch 'adam' into devel
tree
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commitdiff
2012-07-05
Adam Liwo
5/7/2012 by Adam
tree
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commitdiff
2012-07-05
Adam Kazimierz Sie...
DIL zmiana w param read
tree
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commitdiff
2012-07-05
Adam Kazimierz Sie...
hotfix of SCCOR potentials
tree
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commitdiff
2012-07-05
Adam Kazimierz Sie...
hotfix do potencjalow AM1
tree
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commitdiff
2012-07-05
Adam Kazimierz Sie...
Rozgrzebany DIL
tree
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commitdiff
2012-06-27
Adam Kazimierz Sie...
Merge branch 'adasko' into devel
tree
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commitdiff
2012-06-27
Adam Kazimierz Sie...
Wprowadzenie SCCOR do WHAMa i CLUSTROWNIA
tree
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commitdiff
2012-06-20
Dawid Jagiela
LAM/MPI boot ctest modification
tree
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commitdiff
2012-06-19
Dawid Jagiela
added -cpp flag to force preprocesing for all files...
tree
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commitdiff
2012-06-19
Dawid Jagiela
Moved ifdef MOMENT part from COMMON.CONTACTS to COMMON...
tree
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commitdiff
2012-06-18
Dawid Jagiela
enable compiler preprocesor flags for non-standard...
tree
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commitdiff
2012-06-18
Dawid Jagiela
fixed merge conflict in readrtns_csa.F
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commitdiff
2012-06-18
Dawid Jagiela
fixed merge renamed source file: newconf.f is now newconf.F
tree
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commitdiff
2012-06-18
Dawid Jagiela
resolving merge conflicts
tree
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commitdiff
2012-06-18
Adam Liwo
Merge branch 'devel' of mmka.chem.univ.gda.pl:unres...
tree
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commitdiff
2012-06-18
Adam Liwo
Merge branch 'adam' into devel
tree
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commitdiff
2012-06-18
Dawid Jagiela
fixed indent for gfortran build in source/unres/src_MD...
tree
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commitdiff
2012-06-18
Adam Kazimierz Sie...
Merge branch 'adasko' into devel
tree
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commitdiff
2012-06-18
Adam Kazimierz Sie...
zmiany po usunieciu diagnostyki...
tree
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commitdiff
2012-06-15
Adam Liwo
6/15/2012 by Adam
tree
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commitdiff
2012-06-15
Adam Kazimierz Sie...
dzialajacy grad check....
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commitdiff
2012-06-14
Adam Liwo
6/14/12 by Adam: unnecessary files deleted
tree
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commitdiff
2012-06-14
Adam Liwo
6/14/12 by Adam - changes committed
tree
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commitdiff
2012-06-14
Adam Liwo
6/14/2012 by Adam
tree
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commitdiff
2012-06-14
Adam Kazimierz Sie...
Dzialajacy INTERTYP=1 i INTERTYP=2
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commitdiff
2012-06-11
Adam Liwo
6/11/2012 by Adam
tree
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commitdiff
2012-06-11
Dawid Jagiela
fix of xdrf2ang
tree
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commitdiff
2012-06-11
Cezary Czaplewski
DFA is switched off by default
tree
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commitdiff
2012-06-11
Adam Liwo
6/11/2012 Changes of the CSA version
tree
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commitdiff
2012-06-11
Adam Liwo
6/11/2012 Update of the CSA version
tree
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commitdiff
2012-06-08
Dawid Jagiela
added ctest/1LE1_mremd_MD000.cx for xdrf2pdb-m testing
tree
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commitdiff
2012-06-05
Dawid Jagiela
UNRES single MD for MPI ctest file permissions fix
tree
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commitdiff
2012-06-05
Adam Kazimierz Sie...
UDALO SIE TERAZ DEBUG
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commitdiff
2012-06-05
Dawid Jagiela
added MPI ctest for unres single MD
tree
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commitdiff
2012-05-29
Adam Kazimierz Sie...
kolejna
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commitdiff
2012-05-29
Adam Kazimierz Sie...
zmienionwe zostaly i zostal chyba tylko int to cart...
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commitdiff
2012-05-29
Adam Kazimierz Sie...
sadas
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commitdiff
2012-05-27
Dawid Jagiela
compile_definitions workaround (cmake does not pass...
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commitdiff
2012-05-26
Dawid Jagiela
added header for proc_proc.c
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commitdiff
2012-05-26
Dawid Jagiela
EOF warning fix
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commitdiff
2012-05-26
Dawid Jagiela
compinfo.c rewrite
tree
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commitdiff
2012-05-26
Dawid Jagiela
void cast on fgets & fscanf in compinfo.c
tree
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commitdiff
2012-05-26
Dawid Jagiela
compinfo.c warning supresion
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commitdiff
2012-05-18
Cezary Czaplewski
Merge branch 'devel' of mmka:unres into devel
tree
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commitdiff
2012-05-18
Cezary Czaplewski
an example for MIN only version of unres, corrected...
tree
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commitdiff
2012-05-18
Dawid Jagiela
Merge branch 'feature-cmake' into devel
tree
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commitdiff
2012-05-16
Dawid Jagiela
added CMake files to build cluster/wham/src-M
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commitdiff
2012-05-15
Dawid Jagiela
Added CMake files for building source/wham/src-M
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commitdiff
2012-05-14
Dawid Jagiela
ascii frames closed: unres/src_MD-M/energy_p_new_barr...
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commitdiff
2012-05-14
Dawid Jagiela
1) ASCII art frame fix in unres/src_MD-M/energy_p_new_b...
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