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ctest UNRES_M_CHECKGRAD1_homology ene ref
[unres.git]
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source
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unres
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2020-03-19
Cezary Czaplewski
cmake NEWCORR
tree
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commitdiff
2020-03-19
Cezary Czaplewski
rm JESTEM printout
tree
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commitdiff
2020-03-19
Cezary Czaplewski
ctest UNRES_M_MD_microcanonical
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commitdiff
2020-03-19
Cezary Czaplewski
ctest plot UNRES_M_MD_microcanonical
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commitdiff
2020-03-18
Cezary Czaplewski
energy_dec print_compon
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commitdiff
2020-03-16
Cezary Czaplewski
gfortran geomout.F:(.text+0x48df): relocation truncated...
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commitdiff
2020-03-15
Cezary Czaplewski
gfortran geomout.F:(.text+0x48df): relocation truncated...
tree
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commitdiff
2020-03-15
Cezary Czaplewski
isnan logical isnan(potEcomp(0)).gt.0
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commitdiff
2020-03-15
Cezary Czaplewski
ctest csa grep -v GenSide
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commitdiff
2020-03-15
Cezary Czaplewski
ctest csa
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commitdiff
2020-03-15
Cezary Czaplewski
ctest unres
tree
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commitdiff
2020-03-14
Cezary Czaplewski
cleaning and csa update
tree
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commitdiff
2015-10-26
Pawel Krupa
Optimization of the solution for the disulfide problem.
tree
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commitdiff
2015-10-21
Adam Sieradzan
trial for X-Cys-Cys-X sequences
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commitdiff
2015-10-21
Adam Sieradzan
wham debug off and bug fix for dtriss =0
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commitdiff
2015-09-22
Adam Sieradzan
debug in respa
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commitdiff
2015-08-03
Adam Sieradzan
1) debug of Lorentzian like constrains in cluster 2...
tree
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commitdiff
2015-08-02
Adam Sieradzan
first introduction of valence constrains - not working yet
tree
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commitdiff
2015-07-31
Adam Sieradzan
introduction of different ftors for each site
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commitdiff
2015-07-28
Adam Sieradzan
Intoduction Lorentizan like restrains to cluster
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commitdiff
2015-07-21
Adam Sieradzan
WHAM for Lorentzian like constrains fixed - DEBUG OFF
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commitdiff
2015-07-06
Adam Sieradzan
intoduction of quartic restrains in multichain, bugfix...
tree
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commitdiff
2015-07-03
Adam Sieradzan
WeFold Lorentzian like potentials introduction
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commitdiff
2015-06-24
Dawid Jagiela
removed uninitialized ghalf from equation
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commitdiff
2015-05-26
Dawid Jagiela
removed obsolite code in ssMD.F files
tree
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commitdiff
2015-05-25
Adam Sieradzan
TRISS debug
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commitdiff
2015-05-25
Adam Sieradzan
Warnig Debug ON
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commitdiff
2015-05-24
Adam Sieradzan
Corrected WHAM and UNRES reading in SS dyn...
tree
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commitdiff
2015-05-22
Pawel Krupa
Merge branch 'devel' of mmka.chem.univ.gda.pl:unres...
tree
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commitdiff
2015-05-22
Pawel Krupa
Fixed bug in reading trisulfide potentials (atriss...
tree
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commitdiff
2015-05-06
Dawid Jagiela
fixed install binary paths
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commitdiff
2015-04-21
Pawel Krupa
MPICH2 and energy fixes in WHAM-M and Cluster-M.
tree
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commitdiff
2015-04-17
Adam Sieradzan
poprawka w COMMON.SBRIDE dla triss
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commitdiff
2015-04-13
Adam Sieradzan
poprawka w intcartderiv
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commitdiff
2015-04-13
Adam Sieradzan
Introduction of SS to newcorr and SSS to src_MD-M
tree
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commitdiff
2015-03-26
Pawel Krupa
MD problems fixed with FGPROC>1
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commitdiff
2015-02-19
Adam Sieradzan
poprawki w ANG w src_MD-M
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commitdiff
2015-01-29
Adam Liwo
Corrected refsys.f in src_MD-M
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commitdiff
2014-12-05
Cezary Czaplewski
changes from prerelease src_CSA_DiL copied to devel
tree
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commitdiff
2014-11-06
Dawid Jagiela
fixed src_MD_DFA ala10 ctest
tree
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commitdiff
2014-11-06
Dawid Jagiela
1) changes for FindMPI macro in source/unres/src_MD_DFA
tree
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commitdiff
2014-11-05
Dawid Jagiela
fixed marge problem
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commitdiff
2014-11-05
Dawid Jagiela
Merge branch 'prerelease-3.2.1' into devel
tree
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commitdiff
2014-11-05
Dawid Jagiela
ctest ala10 binary location fix
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commitdiff
2014-10-27
Dawid Jagiela
1) binaries are compiled into /bin subdirectory of...
tree
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commitdiff
2014-10-26
Dawid Jagiela
1) Threading cleanup in src_CSA & src_CSA_DiL
tree
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commitdiff
2014-10-26
Dawid Jagiela
switched to CMake FindMPI module in all source files...
tree
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commitdiff
2014-10-26
Dawid Jagiela
switched to CMake FindMPI module in all source files...
tree
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commitdiff
2014-10-26
Dawid Jagiela
added missing preprocessor flags for prng_32.F
tree
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commitdiff
2014-10-25
Dawid Jagiela
prng.f unification
tree
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commitdiff
2014-10-16
Dawid Jagiela
64-bit fix for unres/CSA and unres/CSA_DiL code
tree
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commitdiff
2014-10-14
Dawid Jagieła
fixed CMake variable typo
tree
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commitdiff
2014-07-23
Dawid Jagiela
added "make install" support for: unres (MD, MD-M,...
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
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
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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
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commitdiff
2014-06-17
Adam Kazimierz Sie...
wylacznie diagnostyki
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commitdiff
2014-06-17
Cezary Czaplewski
correcter Makefile and errors side chain parameters
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commitdiff
2014-06-03
Dawid Jagieła
fixed typo
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commitdiff
2014-06-03
Dawid Jagieła
fix for MD tests in E0LL2Y FF
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commitdiff
2014-06-03
Dawid Jagieła
fixed binary name generation in unres/src_MD-M
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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
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commitdiff
2014-06-03
Bartlomiej Zaborowski
Modification files required corresponding architecture
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
2014-04-10
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
2013-11-06
Dawid Jagiela
junk files cleanup
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commitdiff
2013-11-05
Adam Sieradzan
Debug part 6
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commitdiff
2013-11-05
Adam Sieradzan
Debug part 5
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commitdiff
2013-11-05
Adam Sieradzan
Debug part 4
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commitdiff
2013-11-05
Adam Sieradzan
Debug part 3
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commitdiff
2013-11-05
Adam Sieradzan
Debug part 2
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commitdiff
2013-11-05
Adam Sieradzan
Debug part 1
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commitdiff
2013-11-05
Adam Sieradzan
Merge branch 'adasko' into devel
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commitdiff
2013-11-05
Adam Sieradzan
pierwsza proba merga devela do adasko
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commitdiff
2013-10-30
Cezary Czaplewski
Makefile for pgi 2013
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commitdiff
2013-10-30
Cezary Czaplewski
testing Makefile for pgi compiler
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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
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commitdiff
2013-08-31
Adam Kazimierz Sie...
wylaczenie diagnostyki
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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
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