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default -DUNRES_5D=1
[unres.git]
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source
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wham
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2022-02-17
czarek
cmake date format
tree
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commitdiff
2022-02-17
czarek
wham idssb(j)+nres
tree
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commitdiff
2021-05-28
Cezary Czaplewski
wham correction
tree
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commitdiff
2021-05-28
Cezary Czaplewski
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
2020-07-19
Cezary Czaplewski
wham scratch & unres symm
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
2020-06-26
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
dfa & cluster
tree
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commitdiff
2020-06-07
Cezary Czaplewski
DFA & lipid
tree
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commitdiff
2020-05-29
Cezary Czaplewski
cmake update
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
2020-04-04
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
2020-03-26
Cezary Czaplewski
update HCD-5D
tree
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commitdiff
2020-03-24
Cezary Czaplewski
5D update
tree
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commitdiff
2020-03-24
Cezary Czaplewski
src-HCD-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 dfa
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 dock wham and old source rm
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
cmake NEWCORR
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
2020-03-15
Cezary Czaplewski
ctest unres
tree
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commitdiff
2020-03-15
Cezary Czaplewski
ctest wham
tree
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commitdiff
2020-03-15
Cezary Czaplewski
ctest wham
tree
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commitdiff
2020-03-14
Cezary Czaplewski
cleaning ln xdrf
tree
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commitdiff
2016-03-10
Pawel Krupa
Calculation of folded fractions (at given RMSD cutoff...
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
wham debug off and bug fix for dtriss =0
tree
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commitdiff
2015-10-21
Adam Sieradzan
wham debug on
tree
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commitdiff
2015-09-03
Adam Sieradzan
bug fix in WHAM for disulfides
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
2015-08-02
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
tree
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commitdiff
2015-07-28
Adam Sieradzan
Intoduction Lorentizan like restrains to cluster
tree
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commitdiff
2015-07-21
Adam Sieradzan
WHAM for Lorentzian like constrains fixed - DEBUG OFF
tree
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commitdiff
2015-07-20
Adam Sieradzan
debuging WHAM for constrains DEBUG ON
tree
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commitdiff
2015-07-10
Adam Sieradzan
introduction of quartic an Lonrentz constrains to WHAM
tree
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commitdiff
2015-05-25
Adam Sieradzan
hidden part of debug
tree
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commitdiff
2015-05-25
Adam Sieradzan
nss*ebr removed
tree
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commitdiff
2015-05-25
Adam Sieradzan
cxread debug 7
tree
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commitdiff
2015-05-25
Adam Sieradzan
debug part 6
tree
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commitdiff
2015-05-25
Adam Sieradzan
Debug 5
tree
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commitdiff
2015-05-25
Adam Sieradzan
another DEBUG
tree
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commitdiff
2015-05-25
Adam Sieradzan
dubug dss part 3
tree
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commitdiff
2015-05-25
Adam Sieradzan
diffrent name for evdw
tree
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commitdiff
2015-05-25
Adam Sieradzan
TRISS debug
tree
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commitdiff
2015-05-25
Adam Sieradzan
Warnig Debug ON
tree
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commitdiff
2015-05-24
Adam Sieradzan
Corrected WHAM and UNRES reading in SS dyn...
tree
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commitdiff
2015-05-23
Adam Sieradzan
Introduction of working dyn_ss and triss. Problems...
tree
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commitdiff
2015-05-23
Adam Sieradzan
Correction in readrtns
tree
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commitdiff
2015-05-23
Adam Sieradzan
Change in line of dyn_ss
tree
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commitdiff
2015-05-22
Adam Sieradzan
Adding dyn_ss and triss potentials to src-M wham
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
2015-04-17
Pawel Krupa
Fixed error caused by new MPICH2, which made WHAM-M...
tree
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commitdiff
2015-04-16
Pawel Krupa
Fixed energy differs in WHAM-M (EBE).
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
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 wham CmakeList.txt
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/
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
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
Bugfix for smaller size of memory
tree
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commitdiff
2013-11-05
Adam Sieradzan
Debug part 11
tree
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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 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
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
2013-08-31
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
tree
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commitdiff
2013-08-12
Adam Sieradzan
changes for DIMENSION for smaller size MEMory
tree
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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
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