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dfa & cluster
2020-06-15 Cezary Czaplewskidfa & cluster
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2020-06-07 Cezary Czaplewskictest checkgrad_dfa fgproc=2
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2020-06-07 Cezary Czaplewskictest dock fgproc=2
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2020-06-07 Cezary CzaplewskiDFA FGPROC=1 correction
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2020-06-07 Cezary CzaplewskiDFA & lipid
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2020-06-06 Cezary Czaplewskimake update
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2020-06-06 Cezary CzaplewskiDFA parallel correction
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2020-06-06 Cezary CzaplewskiAdam's cluster & unres corrections
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2020-05-29 Cezary Czaplewskicmake update
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2020-05-29 Cezary Czaplewskismall corrections
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2020-05-29 Cezary CzaplewskiAdam's changes
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2020-05-22 Cezary CzaplewskiAdam's corrections
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2020-05-17 Cezary Czaplewskihomology energy correction and MREMD LANG restart
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2020-05-15 Cezary CzaplewskiMREMD LANG correction
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2020-05-15 Cezary Czaplewskimax_template=50
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2020-05-07 Cezary Czaplewskidist homology matrix clean update
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2020-05-02 Cezary Czaplewskicluster & wham Adam's PBC corrections
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2020-05-02 Cezary Czaplewskixdrf2pdb Adam's PBC correction
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2020-04-19 Cezary Czaplewskiwham & cluster maxres=5000
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2020-04-19 Cezary CzaplewskiCMAKE_EXE_LINKER_FLAGS -mcmodel=medium -shared-intel
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2020-04-19 Cezary Czaplewskimaxres 5000
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2020-04-19 Cezary CzaplewskiAdam's corrections
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2020-04-11 Cezary Czaplewskictest ref files and values
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2020-04-11 Cezary Czaplewskireadpdb correction
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2020-04-09 Cezary Czaplewskireadpdb-mult and other Adam's corrections
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2020-04-05 Cezary Czaplewskicluster wham readpdb & ctest ref val
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2020-04-05 Cezary Czaplewskictest ref val for readpdb_mult
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2020-04-05 Cezary Czaplewskiunres readpdb-mult
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2020-04-05 Cezary Czaplewskictest awk correct
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2020-04-05 Cezary Czaplewskictest ref val
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2020-04-05 Cezary Czaplewskictest awk
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2020-04-05 Cezary Czaplewskictest rev val newcorr
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2020-04-05 Cezary Czaplewskictest ref val
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2020-04-05 Cezary Czaplewskictest ref 1DKZcut-min
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2020-04-05 Cezary Czaplewskictest 2 correction
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2020-04-05 Cezary Czaplewskictest correction to last update
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2020-04-05 Cezary Czaplewskictest tol & diff awk
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2020-04-04 Cezary Czaplewskireadpdb & fort.2 from unres
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2020-04-01 Cezary Czaplewskipdbread & boxshift
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2020-03-30 Cezary Czaplewskisrc-HCD-5D with no 5D
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2020-03-30 Cezary Czaplewskiwham cluster newcorr -DFIVEDIAG
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2020-03-28 Cezary CzaplewskiAdam's corrections
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2020-03-27 Cezary CzaplewskiAdam's 5D respa
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2020-03-27 Cezary Czaplewskictest dock srun correction
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2020-03-27 Cezary Czaplewskictest dock srun
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2020-03-26 Cezary Czaplewskictest dock 5D
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2020-03-26 Cezary Czaplewskiupdate HCD-5D
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2020-03-24 Cezary Czaplewski5D update
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2020-03-24 Cezary Czaplewskisrc-HCD-5D update
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2020-03-24 Cezary Czaplewskimake cp src-HCD-5D
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2020-03-24 Cezary Czaplewskicopy src_MD-M-SAXS-homology src-HCD-5D
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2020-03-22 Cezary Czaplewskictest dock wham ref max Cv
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2020-03-22 Cezary Czaplewskictest rm n_ene
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2020-03-22 Cezary Czaplewskicmake ftn okeanos cray XC40 correction
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2020-03-22 Cezary Czaplewskicmake ftn okeanos cray XC40
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2020-03-22 Cezary Czaplewskictest newcorr dfa dell15
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2020-03-22 Cezary Czaplewskictest dfa newcorr dell15
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2020-03-22 Cezary Czaplewskictest dfa newcorr
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2020-03-22 Cezary Czaplewskictest dfa wham check
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2020-03-22 Cezary Czaplewskictest dfa
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2020-03-22 Cezary Czaplewskictest newcorr & dfa
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2020-03-22 Cezary Czaplewskictest dfa wham
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2020-03-22 Cezary Czaplewskictest dfa files cx
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2020-03-22 Cezary Czaplewskictest dfa
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2020-03-21 Cezary Czaplewskictest and default UNRES_MD_FF
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2020-03-21 Cezary Czaplewskictest NEWCORR ref values
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2020-03-20 Cezary Czaplewskictest NEWCORR
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2020-03-20 Cezary Czaplewskictest dock cluster pdbref
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2020-03-20 Cezary Czaplewskictest cluster uniq output (avoid in dash "Over 10000...
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2020-03-20 Cezary Czaplewskictest dock wham ref value
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2020-03-20 Cezary Czaplewskictest csa - commented
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2020-03-20 Cezary Czaplewskictest dock wham and old source rm
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2020-03-20 Cezary Czaplewskictest wham newcorr
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2020-03-20 Cezary Czaplewskictest dock NEWCORR
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2020-03-20 Cezary Czaplewskicluster debug off
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2020-03-20 Cezary Czaplewskidock wham diff
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2020-03-19 Cezary Czaplewskictest UNRES_M_CHECKGRAD1_homology ene ref
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2020-03-19 Cezary Czaplewskictest checkgrad delta=1.0e-4 update
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2020-03-19 Cezary Czaplewskictest checkgrad delta=1.0e-4
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2020-03-19 Cezary Czaplewskicmake NEWCORR
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2020-03-19 Cezary Czaplewskictest ref ene
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2020-03-19 Cezary Czaplewskicorrect theta_abinitio_old_ext.parm
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2020-03-19 Cezary Czaplewskictest UNRES_M_ss_static_min
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2020-03-19 Cezary Czaplewskirm JESTEM printout
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2020-03-19 Cezary Czaplewskictest UNRES_M_MD_microcanonical ene tol 6.0
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2020-03-19 Cezary Czaplewskictest UNRES_M_REGULAR
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2020-03-19 Cezary Czaplewskictest UNRES_M_MD_microcanonical
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2020-03-19 Cezary Czaplewskictest plot UNRES_M_MD_microcanonical
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2020-03-19 Cezary Czaplewskictest ref ene min
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2020-03-18 Cezary Czaplewskictest update ene ref
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2020-03-18 Cezary Czaplewskienergy_dec print_compon
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2020-03-17 Cezary Czaplewskictest dock cluster
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2020-03-17 Cezary Czaplewskisco format read2sigma wham cluster_wham
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2020-03-17 Cezary Czaplewskictest dock read_minim_par
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2020-03-17 Cezary Czaplewskictest dock chmod 2
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2020-03-17 Cezary Czaplewskictest dock chmod
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2020-03-17 Cezary Czaplewskictest python2
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2020-03-16 Cezary Czaplewskigfortran geomout.F:(.text+0x48df): relocation truncated...
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2020-03-15 Cezary Czaplewskigfortran geomout.F:(.text+0x48df): relocation truncated...
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2020-03-15 Cezary Czaplewskiisnan logical isnan(potEcomp(0)).gt.0
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UNRESPACK 3.x