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Mergowanie adasko do bartek
[unres.git]
/
source
/
unres
/
2013-01-23
Bartlomiej Zaborowski
Mergowanie adasko do bartek
tree
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commitdiff
2012-11-17
Bartlomiej Zaborowski
The same modifications like in @matrix, but there are...
tree
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commitdiff
2012-10-30
Bartlomiej Zaborowski
1. New organization of examples for 4P,GAB,E0LL2Y force...
tree
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commitdiff
2012-10-30
Adam Kazimierz Sie...
pseudosymetria D-aminokwasow dla potencjalow SCCOR
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commitdiff
2012-10-29
Adam Kazimierz Sie...
Wprowadzenie SCCOR dla wham-M
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commitdiff
2012-10-17
Bartlomiej Zaborowski
Fixed energy compare to MD
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commitdiff
2012-10-16
Adam Kazimierz Sie...
new file for new residues and corrected ACE reading
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commitdiff
2012-10-15
Adam Kazimierz Sie...
Wprowadzenie DBZ,SME,ABU i AIB
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commitdiff
2012-10-10
Bartlomiej Zaborowski
Back to preavious changes (without SCCOR)
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commitdiff
2012-10-10
Bartlomiej Zaborowski
Merge branch 'devel' into bartek. Fixed conflicts in...
tree
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commitdiff
2012-10-09
Bartlomiej Zaborowski
1. Fixed merge conflicts
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commitdiff
2012-10-09
Bartlomiej Zaborowski
1. Added new files to PARAM
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commitdiff
2012-10-06
Bartlomiej Zaborowski
Small changes in source src_CSA_DiL. Compilation works now
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commitdiff
2012-10-05
Adam Kazimierz Sie...
Poprawiony SCR_MD-M i dzialajacy
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commitdiff
2012-10-04
Adam Kazimierz Sie...
Wprowadznie potencjalow SC-COR do multichain oraz ich...
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commitdiff
2012-10-03
Bartlomiej Zaborowski
Fixed Cmake variable
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commitdiff
2012-10-03
Bartlomiej Zaborowski
1. Fixed merge conflicts
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commitdiff
2012-10-02
Bartlomiej Zaborowski
Merge branch 'bartek' into devel
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commitdiff
2012-10-02
Bartlomiej Zaborowski
Merge branch 'bartek2' into bartek
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commitdiff
2012-10-02
Bartlomiej Zaborowski
zmiana do DiL
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commitdiff
2012-10-02
Bartlomiej Zaborowski
Rozgrzebany DIL
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commitdiff
2012-10-02
Bartlomiej Zaborowski
D i L aminokwasy dzialajace dla src_CSA
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commitdiff
2012-10-02
Adam Kazimierz Sie...
zmiany 20 na typ w src_md-M
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commitdiff
2012-10-02
Adam Kazimierz Sie...
ZMiana w parmreadzie
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commitdiff
2012-09-26
Bartlomiej Zaborowski
"DiL zmiana w param read i tuz przed testami"
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commitdiff
2012-09-26
Bartlomiej Zaborowski
"Przygotowanie CSA do D i L aminokwasow"
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commitdiff
2012-09-06
Adam Kazimierz Sie...
poprawka w src-MD
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commitdiff
2012-08-31
Adam Kazimierz Sie...
Zmiana 21 na ntyp1 w unres SRC_MD oraz SRC_MD-M
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commitdiff
2012-08-24
Adam Kazimierz Sie...
Dzialajaczy dla D aminokwasow whama(mono) psuedosymetri...
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commitdiff
2012-08-20
Dawid Jagiela
1. cmake cinfo.f generation for all sources 2. deleted...
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commitdiff
2012-08-17
Adam Kazimierz Sie...
Wham po zmianach i dzialajac dla D aminokwasow i BEZ...
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commitdiff
2012-08-08
Bartlomiej Zaborowski
CASP3 force field deleted. Fixed merge conflicts.
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commitdiff
2012-08-08
Bartlomiej Zaborowski
Old force fields removed, new ones (GAB, E0LL2Y) added.
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commitdiff
2012-08-07
Adam Kazimierz Sie...
Running D-aminoacid after passed tests. Still problem...
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commitdiff
2012-07-19
Dawid Jagiela
cinfo.f generation and macro for unres MD
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commitdiff
2012-07-18
Adam Kazimierz Sie...
Revert "Merge branch 'adasko' into devel"
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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
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commitdiff
2012-07-09
Adam Kazimierz Sie...
D i L aminokwasy tuz przed testami
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commitdiff
2012-07-06
Adam Kazimierz Sie...
zmiana do DiL
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commitdiff
2012-07-05
Adam Liwo
Merge branch 'adam' into devel
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commitdiff
2012-07-05
Adam Liwo
Minor change
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commitdiff
2012-07-05
Adam Liwo
Minor change
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commitdiff
2012-07-05
Adam Kazimierz Sie...
zmiana binarki...
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commitdiff
2012-07-05
Adam Liwo
Merge branch 'adam' into devel
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commitdiff
2012-07-05
Adam Liwo
5/7/2012 by Adam
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commitdiff
2012-07-05
Adam Kazimierz Sie...
DIL zmiana w param read
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commitdiff
2012-07-05
Adam Kazimierz Sie...
hotfix of SCCOR potentials
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commitdiff
2012-07-05
Adam Kazimierz Sie...
hotfix do potencjalow AM1
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commitdiff
2012-07-05
Adam Kazimierz Sie...
Rozgrzebany DIL
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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
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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...
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commitdiff
2012-06-18
Dawid Jagiela
enable compiler preprocesor flags for non-standard...
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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
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commitdiff
2012-06-18
Dawid Jagiela
resolving merge conflicts
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commitdiff
2012-06-18
Adam Liwo
Merge branch 'devel' of mmka.chem.univ.gda.pl:unres...
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commitdiff
2012-06-18
Adam Liwo
Merge branch 'adam' into devel
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commitdiff
2012-06-18
Dawid Jagiela
fixed indent for gfortran build in source/unres/src_MD...
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commitdiff
2012-06-18
Adam Kazimierz Sie...
Merge branch 'adasko' into devel
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commitdiff
2012-06-18
Adam Kazimierz Sie...
zmiany po usunieciu diagnostyki...
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commitdiff
2012-06-15
Adam Liwo
6/15/2012 by Adam
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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
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commitdiff
2012-06-14
Adam Liwo
6/14/12 by Adam - changes committed
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commitdiff
2012-06-14
Adam Liwo
6/14/2012 by Adam
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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
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commitdiff
2012-06-11
Dawid Jagiela
fix of xdrf2ang
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commitdiff
2012-06-11
Cezary Czaplewski
DFA is switched off by default
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commitdiff
2012-06-11
Adam Liwo
6/11/2012 Changes of the CSA version
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commitdiff
2012-06-11
Adam Liwo
6/11/2012 Update of the CSA version
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commitdiff
2012-06-08
Dawid Jagiela
added ctest/1LE1_mremd_MD000.cx for xdrf2pdb-m testing
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commitdiff
2012-06-05
Dawid Jagiela
UNRES single MD for MPI ctest file permissions fix
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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
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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
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commitdiff
2012-05-26
Dawid Jagiela
void cast on fgets & fscanf in compinfo.c
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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
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commitdiff
2012-05-18
Cezary Czaplewski
an example for MIN only version of unres, corrected...
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commitdiff
2012-05-18
Dawid Jagiela
Merge branch 'feature-cmake' into devel
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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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commitdiff
2012-05-14
Dawid Jagiela
added cmake files to build source/wham/src under ifort
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commitdiff
2012-05-14
Dawid Jagiela
fixed more typos
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commitdiff
2012-05-14
Dawid Jagiela
fixed typo
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commitdiff
2012-05-14
Dawid Jagiela
prng_32.F/prng.f fix for intel compiler
tree
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commitdiff
2012-05-14
Dawid Jagiela
1) moved xdrf library to source/lib/xdrf - CMake files...
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commitdiff
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