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readpdb & fort.2 from unres
[unres.git]
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source
/
cluster
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wham
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2020-04-04
Cezary Czaplewski
readpdb & fort.2 from unres
tree
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commitdiff
2020-04-01
Cezary Czaplewski
pdbread & boxshift
tree
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commitdiff
2020-03-30
Cezary Czaplewski
src-HCD-5D with no 5D
tree
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commitdiff
2020-03-30
Cezary Czaplewski
wham cluster newcorr -DFIVEDIAG
tree
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commitdiff
2020-03-28
Cezary Czaplewski
Adam's corrections
tree
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commitdiff
2020-03-24
Cezary Czaplewski
5D update
tree
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commitdiff
2020-03-24
Cezary Czaplewski
make cp src-HCD-5D
tree
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commitdiff
2020-03-24
Cezary Czaplewski
copy src_MD-M-SAXS-homology src-HCD-5D
tree
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commitdiff
2020-03-22
Cezary Czaplewski
cmake ftn okeanos cray XC40
tree
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commitdiff
2020-03-22
Cezary Czaplewski
ctest newcorr dfa dell15
tree
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commitdiff
2020-03-22
Cezary Czaplewski
ctest newcorr & dfa
tree
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commitdiff
2020-03-20
Cezary Czaplewski
ctest cluster uniq output (avoid in dash "Over 10000...
tree
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commitdiff
2020-03-20
Cezary Czaplewski
cluster debug off
tree
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commitdiff
2020-03-20
Cezary Czaplewski
dock wham diff
tree
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commitdiff
2020-03-19
Cezary Czaplewski
rm JESTEM printout
tree
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commitdiff
2020-03-17
Cezary Czaplewski
sco format read2sigma wham cluster_wham
tree
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commitdiff
2020-03-14
Cezary Czaplewski
ctest cluster wham dfa
tree
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commitdiff
2020-03-14
Cezary Czaplewski
ctest cluster wham
tree
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commitdiff
2020-03-14
Cezary Czaplewski
cleaning and csa update
tree
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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
2015-07-31
Adam Sieradzan
introduction of different ftors for each site
tree
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commitdiff
2015-07-28
Adam Sieradzan
Intoduction Lorentizan like restrains to cluster
tree
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commitdiff
2015-05-27
Adam Sieradzan
working cluster for dyn_ss and triss
tree
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commitdiff
2015-05-26
Adam Sieradzan
Debug cluster part 2
tree
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commitdiff
2015-05-26
Adam Sieradzan
Cluster debug ON
tree
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commitdiff
2015-05-26
Adam Sieradzan
havebond turnoff
tree
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commitdiff
2015-05-26
Adam Sieradzan
correction of readrtns
tree
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commitdiff
2015-05-26
Adam Sieradzan
Merge branch 'devel' of mmka:unres into devel
tree
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commitdiff
2015-05-26
Adam Sieradzan
energy_dec to logical
tree
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commitdiff
2015-05-26
Dawid Jagiela
removed obsolite code in ssMD.F files
tree
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commitdiff
2015-05-26
Adam Sieradzan
Introduction of dyn_ss and triss to cluster
tree
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commitdiff
2015-05-06
Dawid Jagiela
fixed install binary paths
tree
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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
2015-04-05
Dawid Jagiela
added Force-Fields descriptions in exe filenames
tree
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commitdiff
2014-11-05
Dawid Jagiela
Merge branch 'prerelease-3.2.1' into devel
tree
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commitdiff
2014-10-27
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
2014-10-08
Cezary Czaplewski
correct default option for compilers in cluster CmakeLi...
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 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 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
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
2013-10-07
Adam Sieradzan
small correctian in wham
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
2013-01-10
Dawid Jagiela
fixed missing closing bracket
tree
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commitdiff
2013-01-10
Dawid Jagiela
fixed missing closing bracket
tree
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commitdiff
2013-01-10
Dawid Jagiela
WHAM -DISNAN fix
tree
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commitdiff
2013-01-10
Dawid Jagiela
WHAM -DISNAN fix
tree
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commitdiff
2013-01-10
Dawid Jagiela
added UNRES_MD_FF setting for WHAM in (wham & cluster...
tree
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commitdiff
2013-01-10
Dawid Jagiela
added UNRES_MD_FF setting for WHAM in (wham & cluster...
tree
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commitdiff
2013-01-06
Adam Sieradzan
Wprowadzenie do Clustrowania D-aminokwasow w polu Yi
tree
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commitdiff
2012-12-19
Dawid Jagiela
poprawki w COMMONAch
tree
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commitdiff
2012-12-19
Dawid Jagiela
poprawki w COMMONAch
tree
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commitdiff
2012-11-30
Adam Sieradzan
zmiana w symetry (bugfix)
tree
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commitdiff
2012-11-23
Dawid Jagiela
gfortran fixes in local_move.f, energy_p_new.F & initia...
tree
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commitdiff
2012-11-23
Dawid Jagiela
gfortran fixes in local_move.f, energy_p_new.F & initia...
tree
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commitdiff
2012-11-23
Dawid Jagiela
force legacy standard for gfortran
tree
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commitdiff
2012-11-23
Dawid Jagiela
force legacy standard for gfortran
tree
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commitdiff
2012-11-07
Dawid Jagiela
force legacy standard for gfortran
tree
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commitdiff
2012-11-07
Dawid Jagiela
force legacy standard for gfortran
tree
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commitdiff
2012-10-31
Dawid Jagiela
fix tcpu function in cluster/wham for gfortran
tree
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commitdiff
2012-10-31
Dawid Jagiela
fix tcpu function in cluster/wham for gfortran
tree
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commitdiff
2012-10-31
Dawid Jagiela
tcpu function fix for gfortran
tree
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commitdiff
2012-10-31
Dawid Jagiela
tcpu function fix for gfortran
tree
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commitdiff
2012-10-30
Adam Kazimierz Sie...
pseudosymetria D-aminokwasow dla potencjalow SCCOR
tree
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commitdiff
2012-10-30
Adam Kazimierz Sie...
dodanie czytania wagi wsccor do clustrowania-M
tree
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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
tree
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commitdiff
2012-09-20
Adam Liwo
Merge branch 'devel' of mmka.chem.univ.gda.pl:unres...
tree
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commitdiff
2012-09-20
Adam Liwo
Merge branch 'devel' of mmka.chem.univ.gda.pl:unres...
tree
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commitdiff
2012-08-31
Adam Kazimierz Sie...
UNRES caly zmienione 21 na ntyp1
tree
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commitdiff
2012-08-31
Adam Kazimierz Sie...
Zmiana 21 na ntyp1 w unres SRC_MD oraz SRC_MD-M
tree
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commitdiff
2012-08-29
Adam Kazimierz Sie...
Dzialajacy cluster dla D aminokwasow
tree
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commitdiff
2012-08-28
Adam Kazimierz Sie...
Zmiany do clustrowania dla D aminokwasow single chain.
tree
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commitdiff
2012-07-31
Adam Kazimierz Sie...
poprawka clustrowania z potencjalami wsccor (zle czytan...
tree
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commitdiff
2012-07-31
Adam Kazimierz Sie...
poprawka clustrowania z potencjalami wsccor (zle czytan...
tree
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commitdiff
2012-07-30
Adam Kazimierz Sie...
poprawka w cluster dla potencjalow shelleya
tree
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commitdiff
2012-07-30
Adam Kazimierz Sie...
poprawka w cluster dla potencjalow shelleya
tree
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commitdiff
2012-07-18
Adam Liwo
Merge branch 'devel' into adam
tree
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commitdiff
2012-07-18
Adam Liwo
Merge branch 'devel' into adam
tree
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commitdiff
2012-07-18
Adam Liwo
Implement minor changes on branch adam
tree
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commitdiff
2012-07-18
Adam Liwo
Implement minor changes on branch adam
tree
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commitdiff
2012-07-18
Adam Kazimierz Sie...
Revert "poprawka przy liczeniu tau w clustrze"
tree
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commitdiff
2012-07-18
Adam Kazimierz Sie...
Revert "poprawka przy liczeniu tau w clustrze"
tree
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commitdiff
2012-07-06
Adam Kazimierz Sie...
poprawki makefile ktore i tak zostan zmienione
tree
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commitdiff
2012-07-06
Adam Kazimierz Sie...
poprawki makefile ktore i tak zostan zmienione
tree
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commitdiff
2012-07-06
Adam Kazimierz Sie...
wyrowanie COMMON>SCCOR
tree
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commitdiff
2012-07-06
Adam Kazimierz Sie...
wyrowanie COMMON>SCCOR
tree
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commitdiff
2012-07-06
Adam Kazimierz Sie...
Wyrowanie w COmmonie...
tree
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commitdiff
2012-07-06
Adam Kazimierz Sie...
Wyrowanie w COmmonie...
tree
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commitdiff
2012-07-06
Adam Kazimierz Sie...
poprawka przy liczeniu tau w clustrze
tree
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commitdiff
2012-07-06
Adam Kazimierz Sie...
poprawka przy liczeniu tau w clustrze
tree
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commitdiff
2012-06-27
Adam Kazimierz Sie...
Merge branch 'adasko' into devel
tree
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commitdiff
2012-06-27
Adam Kazimierz Sie...
Merge branch 'adasko' into devel
tree
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commitdiff
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