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pdbread-mult
2020-06-23
Cezary Czaplewski
pdbread-mult
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commitdiff
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tree
2020-06-16
Cezary Czaplewski
maxdim_cont=maxres*1000
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commitdiff
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tree
2020-06-16
Cezary Czaplewski
dfa idfamax 15000
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commitdiff
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tree
2020-06-16
Cezary Czaplewski
dfa nfgtasks
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commitdiff
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tree
2020-06-15
Cezary Czaplewski
cluster correction
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commitdiff
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tree
2020-06-15
Cezary Czaplewski
dfa & cluster
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commitdiff
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tree
2020-06-07
Cezary Czaplewski
ctest checkgrad_dfa fgproc=2
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commitdiff
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tree
2020-06-07
Cezary Czaplewski
ctest dock fgproc=2
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commitdiff
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tree
2020-06-07
Cezary Czaplewski
DFA FGPROC=1 correction
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commitdiff
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tree
2020-06-07
Cezary Czaplewski
DFA & lipid
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commitdiff
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tree
2020-06-06
Cezary Czaplewski
make update
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commitdiff
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tree
2020-06-06
Cezary Czaplewski
DFA parallel correction
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commitdiff
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tree
2020-06-06
Cezary Czaplewski
Adam's cluster & unres corrections
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commitdiff
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tree
2020-05-29
Cezary Czaplewski
cmake update
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commitdiff
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tree
2020-05-29
Cezary Czaplewski
small corrections
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commitdiff
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tree
2020-05-29
Cezary Czaplewski
Adam's changes
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commitdiff
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tree
2020-05-22
Cezary Czaplewski
Adam's corrections
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commitdiff
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tree
2020-05-17
Cezary Czaplewski
homology energy correction and MREMD LANG restart
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commitdiff
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tree
2020-05-15
Cezary Czaplewski
MREMD LANG correction
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commitdiff
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tree
2020-05-15
Cezary Czaplewski
max_template=50
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commitdiff
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tree
2020-05-07
Cezary Czaplewski
dist homology matrix clean update
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commitdiff
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tree
2020-05-02
Cezary Czaplewski
cluster & wham Adam's PBC corrections
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commitdiff
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tree
2020-05-02
Cezary Czaplewski
xdrf2pdb Adam's PBC correction
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commitdiff
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tree
2020-04-19
Cezary Czaplewski
wham & cluster maxres=5000
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commitdiff
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tree
2020-04-19
Cezary Czaplewski
CMAKE_EXE_LINKER_FLAGS -mcmodel=medium -shared-intel
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commitdiff
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tree
2020-04-19
Cezary Czaplewski
maxres 5000
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commitdiff
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tree
2020-04-19
Cezary Czaplewski
Adam's corrections
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commitdiff
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tree
2020-04-11
Cezary Czaplewski
ctest ref files and values
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commitdiff
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tree
2020-04-11
Cezary Czaplewski
readpdb correction
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commitdiff
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tree
2020-04-09
Cezary Czaplewski
readpdb-mult and other Adam's corrections
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commitdiff
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tree
2020-04-05
Cezary Czaplewski
cluster wham readpdb & ctest ref val
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commitdiff
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tree
2020-04-05
Cezary Czaplewski
ctest ref val for readpdb_mult
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commitdiff
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tree
2020-04-05
Cezary Czaplewski
unres readpdb-mult
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commitdiff
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tree
2020-04-05
Cezary Czaplewski
ctest awk correct
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commitdiff
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tree
2020-04-05
Cezary Czaplewski
ctest ref val
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commitdiff
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tree
2020-04-05
Cezary Czaplewski
ctest awk
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commitdiff
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tree
2020-04-05
Cezary Czaplewski
ctest rev val newcorr
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commitdiff
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tree
2020-04-05
Cezary Czaplewski
ctest ref val
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commitdiff
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tree
2020-04-05
Cezary Czaplewski
ctest ref 1DKZcut-min
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commitdiff
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tree
2020-04-05
Cezary Czaplewski
ctest 2 correction
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commitdiff
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tree
2020-04-05
Cezary Czaplewski
ctest correction to last update
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commitdiff
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tree
2020-04-05
Cezary Czaplewski
ctest tol & diff awk
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commitdiff
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tree
2020-04-04
Cezary Czaplewski
readpdb & fort.2 from unres
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commitdiff
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tree
2020-04-01
Cezary Czaplewski
pdbread & boxshift
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commitdiff
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tree
2020-03-30
Cezary Czaplewski
src-HCD-5D with no 5D
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commitdiff
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tree
2020-03-30
Cezary Czaplewski
wham cluster newcorr -DFIVEDIAG
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commitdiff
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tree
2020-03-28
Cezary Czaplewski
Adam's corrections
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commitdiff
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tree
2020-03-27
Cezary Czaplewski
Adam's 5D respa
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commitdiff
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tree
2020-03-27
Cezary Czaplewski
ctest dock srun correction
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commitdiff
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tree
2020-03-27
Cezary Czaplewski
ctest dock srun
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commitdiff
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tree
2020-03-26
Cezary Czaplewski
ctest dock 5D
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commitdiff
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tree
2020-03-26
Cezary Czaplewski
update HCD-5D
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commitdiff
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tree
2020-03-24
Cezary Czaplewski
5D update
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commitdiff
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tree
2020-03-24
Cezary Czaplewski
src-HCD-5D update
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commitdiff
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tree
2020-03-24
Cezary Czaplewski
make cp src-HCD-5D
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commitdiff
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tree
2020-03-24
Cezary Czaplewski
copy src_MD-M-SAXS-homology src-HCD-5D
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commitdiff
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tree
2020-03-22
Cezary Czaplewski
ctest dock wham ref max Cv
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commitdiff
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tree
2020-03-22
Cezary Czaplewski
ctest rm n_ene
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commitdiff
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tree
2020-03-22
Cezary Czaplewski
cmake ftn okeanos cray XC40 correction
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commitdiff
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tree
2020-03-22
Cezary Czaplewski
cmake ftn okeanos cray XC40
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commitdiff
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tree
2020-03-22
Cezary Czaplewski
ctest newcorr dfa dell15
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commitdiff
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tree
2020-03-22
Cezary Czaplewski
ctest dfa newcorr dell15
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commitdiff
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tree
2020-03-22
Cezary Czaplewski
ctest dfa newcorr
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commitdiff
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tree
2020-03-22
Cezary Czaplewski
ctest dfa wham check
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commitdiff
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tree
2020-03-22
Cezary Czaplewski
ctest dfa
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commitdiff
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tree
2020-03-22
Cezary Czaplewski
ctest newcorr & dfa
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commitdiff
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tree
2020-03-22
Cezary Czaplewski
ctest dfa wham
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commitdiff
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tree
2020-03-22
Cezary Czaplewski
ctest dfa files cx
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commitdiff
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tree
2020-03-22
Cezary Czaplewski
ctest dfa
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commitdiff
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tree
2020-03-21
Cezary Czaplewski
ctest and default UNRES_MD_FF
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commitdiff
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tree
2020-03-21
Cezary Czaplewski
ctest NEWCORR ref values
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commitdiff
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tree
2020-03-20
Cezary Czaplewski
ctest NEWCORR
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commitdiff
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tree
2020-03-20
Cezary Czaplewski
ctest dock cluster pdbref
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commitdiff
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tree
2020-03-20
Cezary Czaplewski
ctest cluster uniq output (avoid in dash "Over 10000...
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commitdiff
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tree
2020-03-20
Cezary Czaplewski
ctest dock wham ref value
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commitdiff
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tree
2020-03-20
Cezary Czaplewski
ctest csa - commented
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commitdiff
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tree
2020-03-20
Cezary Czaplewski
ctest dock wham and old source rm
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commitdiff
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tree
2020-03-20
Cezary Czaplewski
ctest wham newcorr
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commitdiff
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tree
2020-03-20
Cezary Czaplewski
ctest dock NEWCORR
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commitdiff
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tree
2020-03-20
Cezary Czaplewski
cluster debug off
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commitdiff
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tree
2020-03-20
Cezary Czaplewski
dock wham diff
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commitdiff
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tree
2020-03-19
Cezary Czaplewski
ctest UNRES_M_CHECKGRAD1_homology ene ref
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commitdiff
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tree
2020-03-19
Cezary Czaplewski
ctest checkgrad delta=1.0e-4 update
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commitdiff
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tree
2020-03-19
Cezary Czaplewski
ctest checkgrad delta=1.0e-4
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commitdiff
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tree
2020-03-19
Cezary Czaplewski
cmake NEWCORR
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commitdiff
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tree
2020-03-19
Cezary Czaplewski
ctest ref ene
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commitdiff
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tree
2020-03-19
Cezary Czaplewski
correct theta_abinitio_old_ext.parm
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commitdiff
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tree
2020-03-19
Cezary Czaplewski
ctest UNRES_M_ss_static_min
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commitdiff
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tree
2020-03-19
Cezary Czaplewski
rm JESTEM printout
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commitdiff
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tree
2020-03-19
Cezary Czaplewski
ctest UNRES_M_MD_microcanonical ene tol 6.0
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commitdiff
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tree
2020-03-19
Cezary Czaplewski
ctest UNRES_M_REGULAR
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commitdiff
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tree
2020-03-19
Cezary Czaplewski
ctest UNRES_M_MD_microcanonical
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commitdiff
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tree
2020-03-19
Cezary Czaplewski
ctest plot UNRES_M_MD_microcanonical
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commitdiff
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tree
2020-03-19
Cezary Czaplewski
ctest ref ene min
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commitdiff
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tree
2020-03-18
Cezary Czaplewski
ctest update ene ref
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commitdiff
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tree
2020-03-18
Cezary Czaplewski
energy_dec print_compon
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commitdiff
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tree
2020-03-17
Cezary Czaplewski
ctest dock cluster
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commitdiff
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tree
2020-03-17
Cezary Czaplewski
sco format read2sigma wham cluster_wham
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commitdiff
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tree
2020-03-17
Cezary Czaplewski
ctest dock read_minim_par
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commitdiff
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tree
2020-03-17
Cezary Czaplewski
ctest dock chmod 2
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commitdiff
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tree
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