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corrected cluster for lipid
[unres.git]
/
source
/
2014-06-03
Bartlomiej Zaborowski
Modification files required corresponding architecture
tree
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commitdiff
2014-06-03
Bartlomiej Zaborowski
Modification files required corresponding architecture
tree
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commitdiff
2014-05-25
Adam Sieradzan
zmiany w multichainie
tree
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commitdiff
2014-05-25
Adam Kazimierz Sie...
zmiany, wylaczenie diagnostyki, dzialajacy WHAM
tree
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commitdiff
2014-05-21
Adam Kazimierz Sie...
diagnoza dlaczego WHAM nie dziala
tree
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commitdiff
2014-05-15
Adam Kazimierz Sie...
zmiany w WHAM PBC przed sprawdzeniem differow
tree
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commitdiff
2014-05-13
Adam Sieradzan
Wylacznie timiningu i sprawdzenie gradientu
tree
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commitdiff
2014-05-12
Adam Sieradzan
po przyspieszeniu przed checkgradem i sympcheckiem
tree
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commitdiff
2014-05-08
Adam Sieradzan
wlaczenie timing
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commitdiff
2014-05-08
Adam Sieradzan
Merge branch 'devel' of mmka:unres into devel
tree
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commitdiff
2014-05-08
Adam Sieradzan
Adjusted energy file (small improvement)
tree
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commitdiff
2014-05-01
Adam Sieradzan
polepszenie wydajnosci algorytmu PBC
tree
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commitdiff
2014-04-10
Adam Liwo
Merge branch 'devel' of mmka.chem.univ.gda.pl:unres...
tree
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commitdiff
2014-04-10
Adam Liwo
Added source/wham/src-NEWSC-NEWCORR/
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commitdiff
2014-04-10
Adam Liwo
Added src_MD-M-newcorr (Adasko's source) and src-NEWSC...
tree
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commitdiff
2014-04-01
Adam Liwo
Added src_Eshel (decoy processing for threading)
tree
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commitdiff
2014-03-19
Adam Liwo
Fixed iatsc_s and iatscp_s for 1 residue (was 0 with...
tree
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commitdiff
2014-03-18
Adam Sieradzan
Devel ma zle COMMON.TORSIONAL w src_MD (single chain)
tree
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commitdiff
2014-03-03
Adam Sieradzan
poprawka w refsysie
tree
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commitdiff
2014-02-24
Adam Sieradzan
Working gradient for PBC
tree
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commitdiff
2014-02-17
Adam Sieradzan
The wrong one gradient compontent...
tree
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commitdiff
2014-02-08
Adam Sieradzan
zmiany w galezi multichain
tree
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commitdiff
2014-01-29
Adam Sieradzan
DO zmiany czytanie pisanie i cutoff
tree
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commitdiff
2013-11-18
Adam Sieradzan
dzialajacy gradient
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commitdiff
2013-11-14
Adam Sieradzan
Dzialajacy gradient dla reszt 13 i 7
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commitdiff
2013-11-14
Adam Sieradzan
zabezpieczenie przedczarkowe
tree
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commitdiff
2013-11-06
Dawid Jagiela
Merge branch 'devel' of mmka:unres into devel
tree
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commitdiff
2013-11-06
Dawid Jagiela
junk files cleanup
tree
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commitdiff
2013-11-05
Adam Sieradzan
Merge branch 'devel' of mmka:unres into devel
tree
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commitdiff
2013-11-05
Adam Sieradzan
Bugfix for smaller size of memory
tree
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commitdiff
2013-11-05
Dawid Jagiela
deleted: cluster/wham/src-M/permut.o
tree
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commitdiff
2013-11-05
Adam Sieradzan
Debug part 11
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commitdiff
2013-11-05
Adam Sieradzan
Debug part 10
tree
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commitdiff
2013-11-05
Adam Sieradzan
Debug part 9
tree
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commitdiff
2013-11-05
Adam Sieradzan
Debug part 8
tree
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commitdiff
2013-11-05
Adam Sieradzan
Debug cd 7
tree
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commitdiff
2013-11-05
Adam Sieradzan
Debug part 7
tree
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commitdiff
2013-11-05
Adam Sieradzan
Debug part 6
tree
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commitdiff
2013-11-05
Adam Sieradzan
Debug part 5
tree
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commitdiff
2013-11-05
Adam Sieradzan
Debug part 4
tree
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commitdiff
2013-11-05
Adam Sieradzan
Debug part 3
tree
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commitdiff
2013-11-05
Adam Sieradzan
Debug part 2
tree
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commitdiff
2013-11-05
Adam Sieradzan
Debug part 1
tree
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commitdiff
2013-11-05
Adam Sieradzan
Merge branch 'adasko' into devel
tree
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commitdiff
2013-11-05
Adam Sieradzan
pierwsza proba merga devela do adasko
tree
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commitdiff
2013-11-05
Adam Sieradzan
Dostosowanie w src whama i clustra
tree
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commitdiff
2013-10-30
Cezary Czaplewski
Makefile for pgi 2013
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commitdiff
2013-10-30
Cezary Czaplewski
Merge branch 'devel' of mmka:unres into devel
tree
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commitdiff
2013-10-30
Cezary Czaplewski
testing Makefile for pgi compiler
tree
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commitdiff
2013-10-07
Adam Sieradzan
small correctian in wham
tree
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commitdiff
2013-09-22
Dawid Jagiela
show_UNRES.py - large loops speedup by using xrange
tree
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commitdiff
2013-09-02
Dawid Jagiela
resolved conflicts in: source/unres/src_MD/CMakeLists.txt
tree
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commitdiff
2013-09-02
Cezary Czaplewski
repair of broken merge
tree
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commitdiff
2013-09-02
Cezary Czaplewski
Merge branch 'devel' of mmka:unres into devel
tree
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commitdiff
2013-09-02
Cezary Czaplewski
merging devel
tree
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commitdiff
2013-09-02
Cezary Czaplewski
Merge branch 'prerelease-3.2.1' of mmka:unres into...
tree
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commitdiff
2013-09-02
Cezary Czaplewski
dynamic disulfides in multichain
tree
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commitdiff
2013-08-31
Adam Kazimierz Sie...
1)Clean-up 2)making similar src_MD and its multichain...
tree
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commitdiff
2013-08-31
Adam Kazimierz Sie...
Merge branch 'adasko' of mmka.chem.univ.gda.pl:unres...
tree
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commitdiff
2013-08-31
Adam Kazimierz Sie...
Clean-up in parmread for src-MD and src-MD-M
tree
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commitdiff
2013-08-31
Adam Kazimierz Sie...
wylaczenie diagnostyki
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commitdiff
2013-08-31
Adam Kazimierz Sie...
Merge branch 'prerelease-3.2.1' of mmka.chem.univ.gda...
tree
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commitdiff
2013-08-31
Adam Kazimierz Sie...
zmiany w prereleasie drobne
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commitdiff
2013-08-23
Dawid Jagiela
Fix to use native system xdr headers
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commitdiff
2013-08-12
Adam Sieradzan
changes for DIMENSION for smaller size MEMory
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commitdiff
2013-08-08
Adam Sieradzan
Merge branch 'prerelease-3.2.1' of mmka:unres into...
tree
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commitdiff
2013-08-07
Cezary Czaplewski
decrease of Max_Parm to 32 necessary for 4GB machine
tree
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commitdiff
2013-08-07
Adam Sieradzan
merge...
tree
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commitdiff
2013-08-07
Adam Sieradzan
usuniecie diagnostyki
tree
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commitdiff
2013-07-25
Dawid Jagiela
test name changed for unres MD DFA version
tree
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commitdiff
2013-07-25
Dawid Jagiela
test name changed for unres MD DFA version
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commitdiff
2013-07-25
Dawid Jagiela
Merge branch 'prerelease-3.2.1' into devel
tree
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commitdiff
2013-07-25
Dawid Jagiela
Merge branch 'prerelease-3.2.1' into devel
tree
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commitdiff
2013-07-25
Dawid Jagiela
fixed WHAM for gfortran: src/energy_p_new.F
tree
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commitdiff
2013-07-25
Dawid Jagiela
fixed WHAM for gfortran: src/energy_p_new.F
tree
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commitdiff
2013-07-16
Adam Sieradzan
NIE PEWNE ZMIANY ZWERYFIKUJ!!
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commitdiff
2013-06-28
Adam Kazimierz Sie...
Just few comments added to WHAM to clarify
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commitdiff
2013-06-28
Adam Kazimierz Sie...
Just few comments added to WHAM to clarify
tree
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commitdiff
2013-06-28
Adam Kazimierz Sie...
Bugfix for SS wham and introduction SS to cluster analysis
tree
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commitdiff
2013-06-28
Adam Kazimierz Sie...
Bugfix for SS wham and introduction SS to cluster analysis
tree
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commitdiff
2013-06-25
Adam Kazimierz Sie...
Dodanie dynamic disulfide to WHAM
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commitdiff
2013-06-25
Adam Kazimierz Sie...
Dodanie dynamic disulfide to WHAM
tree
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commitdiff
2013-05-07
Cezary Czaplewski
some corrections in xdrf2pdb-m for dyn_ss
tree
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commitdiff
2013-05-07
Cezary Czaplewski
some corrections in xdrf2pdb-m for dyn_ss
tree
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commitdiff
2013-04-30
Cezary Czaplewski
Merge branch 'prerelease-3.2.1' of mmka:unres into...
tree
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commitdiff
2013-04-30
Cezary Czaplewski
Merge branch 'prerelease-3.2.1' of mmka:unres into...
tree
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commitdiff
2013-04-30
Cezary Czaplewski
testing ssbond in cx
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commitdiff
2013-04-30
Cezary Czaplewski
testing ssbond in cx
tree
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commitdiff
2013-04-15
Dawid Jagiela
changed SCCORPAR to shelly potentials in GAB & 12LY...
tree
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commitdiff
2013-04-15
Dawid Jagiela
changed SCCORPAR to shelly potentials in GAB & 12LY...
tree
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commitdiff
2013-04-12
Dawid Jagiela
added default preprocessor flags for unknown compilers
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commitdiff
2013-04-12
Dawid Jagiela
added default preprocessor flags for unknown compilers
tree
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commitdiff
2013-04-11
Dawid Jagiela
added REMD/MREMD input generation in UNRESInpGen.py
tree
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commitdiff
2013-04-11
Dawid Jagiela
added REMD/MREMD input generation in UNRESInpGen.py
tree
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commitdiff
2013-04-08
Cezary Czaplewski
correct writing of dyn_ss for cx and x
tree
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commitdiff
2013-04-08
Cezary Czaplewski
correct writing of dyn_ss for cx and x
tree
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commitdiff
2013-03-07
Dawid Jagiela
added OVERLAP and NOSEARCHSC options in UNRESInpGen.py
tree
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commitdiff
2013-03-07
Dawid Jagiela
added OVERLAP and NOSEARCHSC options in UNRESInpGen.py
tree
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commitdiff
2013-03-06
Dawid Jagiela
Added minimazation support to UNRESInpGen.py
tree
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commitdiff
2013-03-06
Dawid Jagiela
Added minimazation support to UNRESInpGen.py
tree
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commitdiff
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