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pdbread-mult
[unres.git]
/
source
/
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
2020-06-16
Cezary Czaplewski
dfa nfgtasks
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
ctest checkgrad_dfa fgproc=2
tree
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commitdiff
2020-06-07
Cezary Czaplewski
ctest dock fgproc=2
tree
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commitdiff
2020-06-07
Cezary Czaplewski
DFA FGPROC=1 correction
tree
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commitdiff
2020-06-07
Cezary Czaplewski
DFA & lipid
tree
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commitdiff
2020-06-06
Cezary Czaplewski
make update
tree
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commitdiff
2020-06-06
Cezary Czaplewski
DFA parallel correction
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
cmake update
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
2020-05-17
Cezary Czaplewski
homology energy correction and MREMD LANG restart
tree
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commitdiff
2020-05-15
Cezary Czaplewski
MREMD LANG correction
tree
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commitdiff
2020-05-15
Cezary Czaplewski
max_template=50
tree
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commitdiff
2020-05-07
Cezary Czaplewski
dist homology matrix clean update
tree
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commitdiff
2020-05-02
Cezary Czaplewski
cluster & wham Adam's PBC corrections
tree
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commitdiff
2020-05-02
Cezary Czaplewski
xdrf2pdb Adam's PBC correction
tree
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commitdiff
2020-04-19
Cezary Czaplewski
wham & cluster maxres=5000
tree
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commitdiff
2020-04-19
Cezary Czaplewski
CMAKE_EXE_LINKER_FLAGS -mcmodel=medium -shared-intel
tree
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commitdiff
2020-04-19
Cezary Czaplewski
maxres 5000
tree
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commitdiff
2020-04-19
Cezary Czaplewski
Adam's corrections
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
2020-04-05
Cezary Czaplewski
unres readpdb-mult
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
2020-03-27
Cezary Czaplewski
Adam's 5D respa
tree
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commitdiff
2020-03-27
Cezary Czaplewski
ctest dock srun correction
tree
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commitdiff
2020-03-27
Cezary Czaplewski
ctest dock srun
tree
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commitdiff
2020-03-26
Cezary Czaplewski
ctest dock 5D
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 correction
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 newcorr dell15
tree
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commitdiff
2020-03-22
Cezary Czaplewski
ctest dfa newcorr
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
2020-03-22
Cezary Czaplewski
ctest dfa
tree
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commitdiff
2020-03-20
Cezary Czaplewski
ctest NEWCORR
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
ctest csa - commented
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
ctest dock NEWCORR
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
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
tree
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commitdiff
2020-03-19
Cezary Czaplewski
ctest plot UNRES_M_MD_microcanonical
tree
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commitdiff
2020-03-18
Cezary Czaplewski
energy_dec print_compon
tree
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commitdiff
2020-03-17
Cezary Czaplewski
sco format read2sigma wham cluster_wham
tree
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commitdiff
2020-03-16
Cezary Czaplewski
gfortran geomout.F:(.text+0x48df): relocation truncated...
tree
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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
tree
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commitdiff
2020-03-15
Cezary Czaplewski
ctest csa grep -v GenSide
tree
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commitdiff
2020-03-15
Cezary Czaplewski
ctest csa
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
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
ctest xdrf2pdb
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
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
trial for X-Cys-Cys-X sequences
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
2015-09-22
Adam Sieradzan
debug in respa
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
2015-07-06
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
tree
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commitdiff
2015-06-24
Dawid Jagiela
Merge branch 'devel' of mmka.chem.univ.gda.pl:unres...
tree
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commitdiff
2015-06-24
Dawid Jagiela
removed uninitialized ghalf from equation
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
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