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changes in wham
[unres.git]
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unres
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2014-07-22
Adam Sieradzan
correction in MD returnbox
tree
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commitdiff
2014-07-04
Adam Kazimierz Sie...
BUG FIX for SUMSL minimization
tree
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commitdiff
2014-06-24
Adam Sieradzan
bug fix for langevin dynamics
tree
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commitdiff
2014-06-24
Adam Sieradzan
Merge branch 'devel' of mmka:unres into devel
tree
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commitdiff
2014-06-24
Adam Sieradzan
bug fix for langevin dynamics
tree
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commitdiff
2014-06-24
Cezary Czaplewski
Makefile without debuging
tree
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commitdiff
2014-06-18
Cezary Czaplewski
Merge branch 'devel' of mmka:unres into devel
tree
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commitdiff
2014-06-18
Cezary Czaplewski
dyn-ss in MD-M
tree
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commitdiff
2014-06-17
Adam Kazimierz Sie...
dalej wylaczona diagnostyka
tree
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commitdiff
2014-06-17
Adam Kazimierz Sie...
wylacznie diagnostyki
tree
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commitdiff
2014-06-17
Cezary Czaplewski
correcter Makefile and errors side chain parameters
tree
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commitdiff
2014-06-10
Adam Sieradzan
Bug fix for reading single residue from pdb
tree
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commitdiff
2014-06-03
Dawid Jagieła
fixed typo
tree
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commitdiff
2014-06-03
Dawid Jagieła
fix for MD tests in E0LL2Y FF
tree
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commitdiff
2014-06-03
Dawid Jagieła
fixed binary name generation in unres/src_MD-M
tree
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commitdiff
2014-06-03
Dawid Jagieła
Merge branch 'devel' of mmka:unres into devel
tree
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commitdiff
2014-06-03
Dawid Jagieła
wywalka smieci - ludzie budujcie w katalogu build!
tree
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commitdiff
2014-06-03
Bartlomiej Zaborowski
Merge branch 'devel' of mmka:unres into devel
tree
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commitdiff
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
2014-05-13
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
tree
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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 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
tree
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commitdiff
2013-11-14
Adam Sieradzan
Dzialajacy gradient dla reszt 13 i 7
tree
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commitdiff
2013-11-14
Adam Sieradzan
zabezpieczenie przedczarkowe
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
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
2013-10-30
Cezary Czaplewski
Makefile for pgi 2013
tree
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commitdiff
2013-10-30
Cezary Czaplewski
testing Makefile for pgi compiler
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
tree
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commitdiff
2013-08-31
Adam Kazimierz Sie...
zmiany w prereleasie drobne
tree
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commitdiff
2013-08-23
Dawid Jagiela
Fix to use native system xdr headers
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
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
Merge branch 'prerelease-3.2.1' into devel
tree
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commitdiff
2013-07-16
Adam Sieradzan
NIE PEWNE ZMIANY ZWERYFIKUJ!!
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
2013-04-12
Dawid Jagiela
added default preprocessor flags for unknown compilers
tree
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commitdiff
2013-04-12
Dawid Jagiela
added default preprocessor flags for unknown compilers
tree
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commitdiff
2013-04-08
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
2013-02-19
Cezary Czaplewski
cleaning of gfortran warnings in src_MD_DFA
tree
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commitdiff
2013-02-19
Cezary Czaplewski
cleaning of gfortran warnings in src_MD_DFA
tree
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commitdiff
2013-02-19
Cezary Czaplewski
cleaning of gfortran warnings
tree
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commitdiff
2013-02-19
Cezary Czaplewski
cleaning of gfortran warnings
tree
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commitdiff
2013-02-19
Cezary Czaplewski
copy DFA cleaning of types from CSA to MD
tree
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commitdiff
2013-02-19
Cezary Czaplewski
copy DFA cleaning of types from CSA to MD
tree
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commitdiff
2013-02-19
Cezary Czaplewski
repairs error in merge
tree
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commitdiff
2013-02-19
Cezary Czaplewski
repairs error in merge
tree
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commitdiff
2013-02-19
Cezary Czaplewski
Merge branch 'prerelease-3.2.1' into devel
tree
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commitdiff
2013-02-19
Cezary Czaplewski
Merge branch 'prerelease-3.2.1' into devel
tree
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commitdiff
2013-02-19
Cezary Czaplewski
dyn_ss and other finegrain printout cleaning
tree
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commitdiff
2013-02-19
Cezary Czaplewski
dyn_ss and other finegrain printout cleaning
tree
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commitdiff
2013-02-18
Cezary Czaplewski
dynamic dissulfides with finegrain parallelization...
tree
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commitdiff
2013-02-18
Cezary Czaplewski
dynamic dissulfides with finegrain parallelization...
tree
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commitdiff
2013-02-18
Cezary Czaplewski
Merge branch 'prerelease-3.2.1' of mmka:unres into...
tree
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commitdiff
2013-02-18
Cezary Czaplewski
Merge branch 'prerelease-3.2.1' of mmka:unres into...
tree
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commitdiff
2013-02-18
Cezary Czaplewski
dynamic dissulfides with finegrain parallelization
tree
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commitdiff
2013-02-18
Cezary Czaplewski
dynamic dissulfides with finegrain parallelization
tree
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commitdiff
2013-02-18
Adam Liwo
Added refsys.f to src_CSA_DiL
tree
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commitdiff
2013-02-18
Adam Liwo
Added refsys.f to src_CSA_DiL
tree
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commitdiff
2013-02-18
Adam Liwo
Added refsys,f
tree
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commitdiff
2013-02-18
Adam Liwo
Added refsys,f
tree
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commitdiff
2013-02-18
Adam Liwo
refsys deleted from readpdb.F in srd_CSA_DiL
tree
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commitdiff
2013-02-18
Adam Liwo
refsys deleted from readpdb.F in srd_CSA_DiL
tree
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commitdiff
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