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Zmiana w parametrach scinter_GB
[unres.git]
/
source
/
2012-11-22
Adam Sieradzan
zminy w cmake
tree
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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...
tree
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commitdiff
2012-10-30
Adam Kazimierz Sie...
pseudosymetria D-aminokwasow dla potencjalow SCCOR
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commitdiff
2012-10-30
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...
tree
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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
2012-10-16
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
tree
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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...
tree
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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
2012-09-06
Adam Kazimierz Sie...
poprawka w src-MD
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commitdiff
2012-08-31
Adam Kazimierz Sie...
UNRES caly zmienione 21 na ntyp1
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commitdiff
2012-08-31
Adam Kazimierz Sie...
Zmina 21 na ntyp1 w wham src i src-M
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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
2012-08-29
Adam Kazimierz Sie...
Dzialajacy cluster dla D aminokwasow
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commitdiff
2012-08-28
Adam Kazimierz Sie...
Zmiany do clustrowania dla D aminokwasow single chain.
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commitdiff
2012-08-24
Adam Kazimierz Sie...
Dzialajaczy dla D aminokwasow whama(mono) psuedosymetri...
tree
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commitdiff
2012-08-22
Adam Kazimierz Sie...
poprawa w Pamread.F dla monochain wham
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commitdiff
2012-08-17
Adam Kazimierz Sie...
Wham po zmianach i dzialajac dla D aminokwasow i BEZ...
tree
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commitdiff
2012-08-07
Adam Kazimierz Sie...
Running D-aminoacid after passed tests. Still problem...
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...
Wyrowanie w COmmonie...
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commitdiff
2012-07-06
Adam Kazimierz Sie...
zmiana do DiL
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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...
Rozgrzebany DIL
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commitdiff
2012-06-27
Dawid Jagiela
fixed broken (by adasko) alignment in COMMON.SCCOR
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commitdiff
2012-06-27
Adam Kazimierz Sie...
Merge branch 'adasko' into devel
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commitdiff
2012-06-27
Adam Kazimierz Sie...
glupia zmiana
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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
added source/cluster/wham/src/gnmr1.f to cmake build
tree
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commitdiff
2012-06-18
Dawid Jagiela
added gnmr1.f to sources in cmake builds
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 source/xdrfpdb/src-M/xdrf2pdb-m.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
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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
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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
Dawid Jagiela
Merge branch 'devel' of mmka:unres into devel
tree
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commitdiff
2012-06-18
Dawid Jagiela
removed MPI form CMakeLists.txt in xdrfpdb
tree
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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...
tree
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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
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
Adam Liwo
6/11/2012 by Adam
tree
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commitdiff
2012-06-11
Dawid Jagiela
fixed iblnk in xdrf2ang
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commitdiff
2012-06-11
Dawid Jagiela
added ctests for xdrf2ang
tree
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commitdiff
2012-06-11
Dawid Jagiela
fix of malloc in xdrf2pdb-m
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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
tree
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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
xdrf2pdb programs doesn't require MPI so MPI-flags...
tree
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commitdiff
2012-06-05
Dawid Jagiela
added ctests for xdrf2pdb (one & three letter sequence )
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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
2012-05-29
Adam Liwo
5/29/2012 by Adam
tree
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commitdiff
2012-05-27
Dawid Jagiela
compile_definitions workaround (cmake does not pass...
tree
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commitdiff
2012-05-27
Dawid Jagiela
included <stdio.h> in proc_proc.c
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commitdiff
2012-05-27
Dawid Jagiela
sscanf EOF fix in source/wham/src-M/proc_proc.c
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commitdiff
2012-05-27
Dawid Jagiela
closing ascii art frames in energy_p_new.F
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commitdiff
2012-05-27
Dawid Jagiela
flags typo fix
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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
wham compinfo EOF fix
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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
2012-05-25
Dawid Jagiela
gfortran fix for cluster/wham/src build
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commitdiff
2012-05-24
Dawid Jagiela
gfortran proc_proc.c build flags fix in source/cluster...
tree
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commitdiff
2012-05-22
Dawid Jagiela
integer overflow fixed in xdrf2x.F
tree
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commitdiff
2012-05-22
Dawid Jagiela
more xdrfpdb fixes for gfortran build
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commitdiff
2012-05-22
Dawid Jagiela
gfortran patch for xdrf2ang.f
tree
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commitdiff
2012-05-20
Dawid Jagiela
added missing source cluster/wham/src-M
tree
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commitdiff
2012-05-20
Dawid Jagiela
cluster/wham hc.f gfortran fix
tree
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commitdiff
2012-05-20
Dawid Jagiela
include typo fixed + cleanup
tree
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commitdiff
2012-05-20
Adam Liwo
5/20/2012 by Adam
tree
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commitdiff
2012-05-18
Dawid Jagiela
Merge branch 'devel' of mmka:unres into devel
tree
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commitdiff
2012-05-18
Dawid Jagiela
fixed ascii art frames in source/cluster/wham/src...
tree
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commitdiff
2012-05-18
Cezary Czaplewski
Merge branch 'devel' of mmka:unres into devel
tree
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commitdiff
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