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[unres.git]
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cluster
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2022-02-27
czarek
dist1cut
tree
|
commitdiff
2022-02-17
czarek
cmake date format
tree
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commitdiff
2022-02-17
czarek
cluster_wham iss(idssb(k)-nres)+nres
tree
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commitdiff
2021-05-28
Cezary Czaplewski
cluster_wham Adam's changes
tree
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commitdiff
2020-07-21
Cezary Czaplewski
cluster wham test homo small memory single sco
tree
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commitdiff
2020-07-18
Cezary Czaplewski
maxres=7000
tree
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commitdiff
2020-07-15
Cezary Czaplewski
dfa IDFAMAX=25000
tree
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commitdiff
2020-07-04
Cezary Czaplewski
external ilen
tree
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commitdiff
2020-07-04
Cezary Czaplewski
$SCRATCHDIR/distance instead of /tmp/distance
tree
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commitdiff
2020-06-26
Cezary Czaplewski
dfa IDFAMAX 20000
tree
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commitdiff
2020-06-23
Cezary Czaplewski
pdbread-mult
tree
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commitdiff
2020-06-16
Cezary Czaplewski
maxdim_cont=maxres*1000
tree
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commitdiff
2020-06-16
Cezary Czaplewski
dfa idfamax 15000
tree
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commitdiff
2020-06-15
Cezary Czaplewski
cluster correction
tree
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commitdiff
2020-06-15
Cezary Czaplewski
dfa & cluster
tree
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commitdiff
2020-06-07
Cezary Czaplewski
DFA & lipid
tree
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commitdiff
2020-06-06
Cezary Czaplewski
Adam's cluster & unres corrections
tree
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commitdiff
2020-05-29
Cezary Czaplewski
small corrections
tree
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commitdiff
2020-05-29
Cezary Czaplewski
Adam's changes
tree
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commitdiff
2020-05-22
Cezary Czaplewski
Adam's corrections
tree
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commitdiff
2020-05-02
Cezary Czaplewski
cluster & wham Adam's PBC corrections
tree
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commitdiff
2020-04-19
Cezary Czaplewski
wham & cluster maxres=5000
tree
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commitdiff
2020-04-11
Cezary Czaplewski
readpdb correction
tree
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commitdiff
2020-04-09
Cezary Czaplewski
readpdb-mult and other Adam's corrections
tree
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commitdiff
2020-04-05
Cezary Czaplewski
cluster wham readpdb & ctest ref val
tree
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commitdiff
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
cluster unres
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
|
commitdiff
2013-01-10
Dawid Jagiela
fixed missing closing bracket
tree
|
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
|
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
some gfortran warning fixes
tree
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commitdiff
2012-11-23
Dawid Jagiela
some gfortran warning fixes
tree
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commitdiff
2012-11-23
Dawid Jagiela
some gfortran warning fixes
tree
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commitdiff
2012-11-23
Dawid Jagiela
some gfortran warning fixes
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
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