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unres.git
2012-11-22
Adam Kazimierz...
zmiany najnowsze
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2012-11-21
Adam Kazimierz...
Zmiana gitignore i parametrow rotamerycznych
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2012-11-21
Adam Kazimierz...
Nowe potencjaly walencyjne dla pola Yi uwzgledniajace...
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2012-10-30
Adam Kazimierz...
pseudosymetria D-aminokwasow dla potencjalow SCCOR
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2012-10-30
Adam Kazimierz...
dodanie czytania wagi wsccor do clustrowania-M
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2012-10-30
Adam Kazimierz...
Wstawnieni SCCOR dla clustrowania. Nie wiadomo czy...
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2012-10-29
Adam Kazimierz...
Wprowadzenie SCCOR dla wham-M
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2012-10-26
Adam Kazimierz...
liczenie tauangle
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2012-10-26
Adam Kazimierz...
Rozgrzebany SCCOR dla wham-M
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2012-10-26
Adam Kazimierz...
Zmiana plikow torsion_...
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2012-10-16
Adam Kazimierz...
new file for new residues and corrected ACE reading
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2012-10-15
Adam Kazimierz...
Wprowadzenie DBZ,SME,ABU i AIB
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2012-10-05
Adam Kazimierz...
Poprawiony SCR_MD-M i dzialajacy
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2012-10-04
Adam Kazimierz...
Wprowadznie potencjalow SC-COR do multichain oraz ich...
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2012-10-02
Adam Kazimierz...
zmiany 20 na typ w src_md-M
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2012-10-02
Adam Kazimierz...
ZMiana w parmreadzie
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2012-09-06
Adam Kazimierz...
poprawka w src-MD
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2012-08-31
Adam Kazimierz...
UNRES caly zmienione 21 na ntyp1
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2012-08-31
Adam Kazimierz...
Zmina 21 na ntyp1 w wham src i src-M
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2012-08-31
Adam Kazimierz...
Zmiana 21 na ntyp1 w unres SRC_MD oraz SRC_MD-M
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2012-08-29
Adam Kazimierz...
Dzialajacy cluster dla D aminokwasow
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2012-08-28
Adam Kazimierz...
Zmiany do clustrowania dla D aminokwasow single chain.
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2012-08-24
Adam Kazimierz...
Dzialajaczy dla D aminokwasow whama(mono) psuedosymetri...
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2012-08-22
Adam Kazimierz...
poprawa w Pamread.F dla monochain wham
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2012-08-17
Adam Kazimierz...
Wham po zmianach i dzialajac dla D aminokwasow i BEZ...
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2012-08-07
Adam Kazimierz...
Running D-aminoacid after passed tests. Still problem...
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2012-07-17
Adam Kazimierz...
D i L aminokwasy dzialajace dla src_MD
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2012-07-09
Adam Kazimierz...
D i L aminokwasy tuz przed testami
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2012-07-06
Adam Kazimierz...
Wyrowanie w COmmonie...
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2012-07-06
Adam Kazimierz...
zmiana do DiL
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2012-07-05
Adam Kazimierz...
DIL zmiana w param read
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2012-07-05
Adam Kazimierz...
dodanie do gitignor kolejnych moich poligonowy plikow
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2012-07-05
Adam Kazimierz...
Rozgrzebany DIL
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2012-06-27
Dawid Jagiela
fixed broken (by adasko) alignment in COMMON.SCCOR
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2012-06-27
Adam Kazimierz...
Merge branch 'adasko' into devel
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2012-06-27
Adam Kazimierz...
Merge branch 'devel' of mmka.chem.univ.gda.pl:unres...
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2012-06-27
Adam Kazimierz...
git ignore
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2012-06-27
Adam Kazimierz...
glupia zmiana
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2012-06-27
Adam Kazimierz...
Wprowadzenie SCCOR do WHAMa i CLUSTROWNIA
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2012-06-20
Dawid Jagiela
LAM/MPI boot ctest modification
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2012-06-19
Dawid Jagiela
added -cpp flag to force preprocesing for all files...
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2012-06-19
Dawid Jagiela
Moved ifdef MOMENT part from COMMON.CONTACTS to COMMON...
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2012-06-18
Dawid Jagiela
enable compiler preprocesor flags for non-standard...
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2012-06-18
Dawid Jagiela
added source/cluster/wham/src/gnmr1.f to cmake build
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2012-06-18
Dawid Jagiela
added gnmr1.f to sources in cmake builds
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2012-06-18
Dawid Jagiela
fixed merge conflict in readrtns_csa.F
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2012-06-18
Dawid Jagiela
fixed source/xdrfpdb/src-M/xdrf2pdb-m.F
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2012-06-18
Dawid Jagiela
fixed merge renamed source file: newconf.f is now newconf.F
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2012-06-18
Dawid Jagiela
resolving merge conflicts
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2012-06-18
Adam Liwo
Merge branch 'devel' of mmka.chem.univ.gda.pl:unres...
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2012-06-18
Adam Liwo
Merge branch 'adam' into devel
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2012-06-18
Dawid Jagiela
fixed indent for gfortran build in source/unres/src_MD...
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2012-06-18
Dawid Jagiela
Merge branch 'devel' of mmka:unres into devel
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2012-06-18
Dawid Jagiela
removed MPI form CMakeLists.txt in xdrfpdb
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2012-06-18
Adam Kazimierz...
unified .gitignore
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2012-06-18
Adam Kazimierz...
small fix in .gitingnore
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2012-06-18
Adam Kazimierz...
Merge branch 'adasko' into devel
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2012-06-18
Adam Kazimierz...
poprawka gitignore
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2012-06-18
Adam Kazimierz...
zmiana w git ignore
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2012-06-18
Adam Kazimierz...
zmiany po usunieciu diagnostyki...
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2012-06-15
Adam Liwo
6/15/2012 by Adam
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2012-06-15
Adam Kazimierz...
dzialajacy grad check....
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2012-06-14
Adam Liwo
6/14/12 by Adam: unnecessary files deleted
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2012-06-14
Adam Liwo
6/14/12 by Adam - changes committed
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2012-06-14
Adam Liwo
6/14/2012 by Adam
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2012-06-14
Adam Kazimierz...
Dzialajacy INTERTYP=1 i INTERTYP=2
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2012-06-11
Adam Liwo
6/11/2012 by Adam
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2012-06-11
Adam Liwo
6/11/2012 by Adam
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2012-06-11
Dawid Jagiela
fixed iblnk in xdrf2ang
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2012-06-11
Dawid Jagiela
added ctests for xdrf2ang
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2012-06-11
Dawid Jagiela
fix of malloc in xdrf2pdb-m
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2012-06-11
Dawid Jagiela
fix of xdrf2ang
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2012-06-11
Cezary Czaplewski
DFA is switched off by default
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2012-06-11
Adam Liwo
6/11/2012 Changes of the CSA version
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2012-06-11
Adam Liwo
6/11/2012 Update of the CSA version
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2012-06-08
Dawid Jagiela
added ctest/1LE1_mremd_MD000.cx for xdrf2pdb-m testing
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2012-06-05
Dawid Jagiela
xdrf2pdb programs doesn't require MPI so MPI-flags...
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2012-06-05
Dawid Jagiela
added ctests for xdrf2pdb (one & three letter sequence )
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2012-06-05
Dawid Jagiela
UNRES single MD for MPI ctest file permissions fix
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2012-06-05
Adam Kazimierz...
UDALO SIE TERAZ DEBUG
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2012-06-05
Dawid Jagiela
added MPI ctest for unres single MD
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2012-05-29
Adam Kazimierz...
kolejna
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2012-05-29
Adam Kazimierz...
zmienionwe zostaly i zostal chyba tylko int to cart...
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2012-05-29
Adam Kazimierz...
sadas
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2012-05-29
Adam Liwo
5/29/2012 by Adam
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2012-05-27
Dawid Jagiela
compile_definitions workaround (cmake does not pass...
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2012-05-27
Dawid Jagiela
included <stdio.h> in proc_proc.c
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2012-05-27
Dawid Jagiela
sscanf EOF fix in source/wham/src-M/proc_proc.c
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2012-05-27
Dawid Jagiela
closing ascii art frames in energy_p_new.F
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2012-05-27
Dawid Jagiela
flags typo fix
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2012-05-26
Dawid Jagiela
added header for proc_proc.c
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2012-05-26
Dawid Jagiela
wham compinfo EOF fix
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2012-05-26
Dawid Jagiela
EOF warning fix
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2012-05-26
Dawid Jagiela
compinfo.c rewrite
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2012-05-26
Dawid Jagiela
void cast on fgets & fscanf in compinfo.c
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2012-05-26
Dawid Jagiela
compinfo.c warning supresion
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2012-05-25
Dawid Jagiela
gfortran fix for cluster/wham/src build
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2012-05-24
Dawid Jagiela
gfortran proc_proc.c build flags fix in source/cluster...
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2012-05-22
Dawid Jagiela
integer overflow fixed in xdrf2x.F
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2012-05-22
Dawid Jagiela
more xdrfpdb fixes for gfortran build
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