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new HOMOL energy wham & cluster
2018-04-23 Cezary Czaplewskinew HOMOL energy wham & cluster
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2018-04-20 Cezary Czaplewskinew HOMOL energy
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2018-04-17 Cezary Czaplewskirescore=0.2 rescore2=1.0 mdpdb append
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2018-04-05 Cezary CzaplewskiAdam's corrections to HOMOL_FRAG program
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2018-04-05 Cezary Czaplewskiprogram genereating HOMOL_FRAG consensus fragments
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2018-04-05 Cezary CzaplewskiENDMDL cluster_wham/src
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2018-03-26 Cezary CzaplewskiREAD_HOMOL_FRAG cluster_wham
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2018-03-26 Cezary CzaplewskiREAD_HOMOL_FRAG wham
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2018-03-26 Cezary CzaplewskiREAD_HOMOL_FRAG
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2018-03-22 Cezary Czaplewskiwham cluster ignores missing dat file for wdfab=0
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2018-03-22 Cezary Czaplewskiparallel DFA_D DFA_T DFA_N
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2018-03-21 Cezary Czaplewskidfa prints correct error missing files
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2018-03-21 Cezary CzaplewskiPARAM iter1_7p single chain
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2018-02-02 Cezary Czaplewskiwham maxsym=10
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2018-01-31 Cezary Czaplewskimultichain geomout corrected
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2018-01-27 Cezary Czaplewskicluster wham SACS cutoff
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2018-01-27 Cezary Czaplewskiwham SAXS cutoff
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2018-01-27 Cezary Czaplewskiwsaxs0 and map
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2018-01-08 Cezary CzaplewskiSAXS cutoff saxs_cutoff.eq.0
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2018-01-03 Cezary CzaplewskiSAXS cutoff correct gradiend and cutoff scaling
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2018-01-02 Cezary CzaplewskiSAXS cutoff correction
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2018-01-02 Cezary CzaplewskiSAXS cutoff correction
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2018-01-02 Cezary CzaplewskiDiL PARAM update
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2018-01-02 Cezary CzaplewskiSAXS cutoff
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2017-12-22 Cezary Czaplewskixdrf2pdb D amino
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2017-12-21 Cezary Czaplewskixdrf2pdb-m-mult time t_bath printout
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2017-12-21 Cezary Czaplewskisaxs SCAL_RAD input parameter
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2017-12-19 Cezary Czaplewskictest wham & cluster src-M
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2017-12-17 Cezary Czaplewskisaxs and adam's corrections to multichain
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2017-10-04 Cezary Czaplewskixdrf2pdb-m MREMD no uconst_back
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2017-09-29 Cezary Czaplewskipgf90 common cleaning
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2017-09-29 Cezary Czaplewskicmake pgf90
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2017-09-29 Cezary Czaplewskiisnan_pgi
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2017-09-28 Cezary Czaplewskigfortran error
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2017-09-28 Cezary Czaplewskigfortran error
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2017-09-27 Cezary Czaplewskirm uscdiff
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2017-09-26 Cezary Czaplewskirm uscdiff
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2017-09-26 Cezary Czaplewskigfortran errors
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2017-09-26 Cezary Czaplewskigfortran error
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2017-09-26 Cezary Czaplewskicmake config typo
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2017-09-26 Cezary Czaplewskigfortran wham and cluster -mcmodel=medium
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2017-09-26 Cezary Czaplewskiimax0 not in gfortran
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2017-09-25 Cezary Czaplewskidimensions
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2017-08-26 Cezary Czaplewskifiles for opt-wtfsa-2 and chainbuild_ext
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2017-08-25 Cezary Czaplewskiremd random start loop until low ene
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2017-08-12 Cezary Czaplewskimultichain cleaning output
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2017-08-12 Cezary Czaplewskimultichain cluster can select number of clusters instead...
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2017-08-12 Cezary Czaplewskiunres multichain extconf MD chainbuild
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2017-03-21 Cezary Czaplewskicompiler directive UNROLL(0) in eturn3
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2017-03-10 Cezary Czaplewskicorrect gradient on cray okeanos
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2017-03-10 Cezary CzaplewskiAdasko D-aminoacid correction
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2017-03-09 Cezary Czaplewskictest src_MD-M ref ene and missing files
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2017-03-09 Cezary Czaplewskictest src_MD-M corrections
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2017-03-09 Cezary Czaplewskictest checkgrad ref ene and limits
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2017-03-04 Cezary Czaplewskictest checkgrad
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2017-03-04 Cezary Czaplewskictest
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2017-03-04 Cezary Czaplewskictest ene multichain
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2017-03-03 Cezary Czaplewskictest too large output from some tests
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2017-03-03 Cezary Czaplewskictest multichain
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2017-03-02 Cezary Czaplewskictest wham cluster
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2017-02-28 Cezary Czaplewskictest energy homology test
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2017-02-28 Cezary Czaplewskictest correction
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2017-02-28 Cezary Czaplewskictest correction
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2017-02-28 Cezary Czaplewskictest dfa and homology
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2017-02-27 Cezary Czaplewskictest corrections
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2017-02-27 Cezary Czaplewskictest minim cart test not working for prota.pdb using...
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2017-02-27 Cezary Czaplewskictest checkgrad added
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2017-02-27 Cezary Czaplewski checkgrad after minim with return code <> 4
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2017-02-24 Cezary Czaplewskicluster wham src-M corrections to match unres energy
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2017-02-24 Cezary Czaplewskiwham src-M corrections to match unres energy
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2017-02-23 Cezary Czaplewskicheckgrad_inc added to input for checkgrad cart
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2017-02-23 Cezary Czaplewskihomology dihederal i-3 gradient correction src_MD
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2017-02-22 Cezary Czaplewskihomology dihederal i-3 gradient correction
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2017-02-22 Cezary Czaplewskifix checkgrad usampl conflict with homology
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2017-02-22 Cezary Czaplewskicorrections to numerical and sccor analytical gradient
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2017-02-16 Cezary Czaplewskienergy of unres src_MD-M match prerelease
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2016-09-14 Cezary Czaplewskiincrease to 20 max nset waga_homology(20)
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2016-09-13 Cezary CzaplewskiHOMOL_NSET in wham input keyword correction
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2016-08-24 Cezary CzaplewskiLorentzian restraints on distances in cluster_wham
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2016-08-24 Cezary CzaplewskiLorentzian restraints on distances in wham
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2016-08-23 Cezary CzaplewskiLorenz restraints on distances
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2016-07-04 Cezary Czaplewskimultichain debug print removed (no fort.2 file)
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2016-07-04 Cezary Czaplewskimultichain maxres=1000
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2016-06-26 Cezary Czaplewskiwham also in single chain ignores conf. energies>10E6
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2016-06-19 Cezary Czaplewskicorrection for idihconstr_end_homo, no differ in wham now
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2016-06-14 Cezary Czaplewskimultichain wham and cluster_wham use readpdb_template
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2016-06-11 Cezary Czaplewskicorrection to the last commit - cleaning of homo restraints
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2016-06-10 Cezary Czaplewskimultichain wham ignores conf. energies>10E6 and speed...
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2016-06-08 Cezary Czaplewskisingle chain correction of dihedral homology restraints...
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2016-06-08 Cezary Czaplewskiunres src_MD max_template=25
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2016-05-25 Cezary Czaplewskiintel compiler option correction for wham/src-M
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2016-05-19 Cezary Czaplewskiminim and preminim in cart for large proteins
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2016-05-19 Cezary Czaplewskistart_from_models working with multichain
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2016-05-19 Cezary Czaplewskicorrection of dihedral homology restraints phi(i+3)
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2016-05-12 Cezary CzaplewskiMaxT_h=36
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2016-05-12 Cezary Czaplewskithe first working version of multichain homology
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2016-05-10 Cezary CzaplewskiPARAM update ext
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2016-05-10 Cezary CzaplewskiPARAM update ext
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2016-05-10 Cezary Czaplewskiupdate of PARAM - new maxliq and ext for src-M parameters
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2016-05-10 Cezary Czaplewskiupdates from src_MD to src_MD-M for unres
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UNRESPACK 3.x