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isnan_pgi
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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2016-05-05 Cezary Czaplewskidfa wham and cluster corrections
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2016-05-05 Cezary Czaplewskiread2sigma in wham and cluster_wham
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2016-04-29 Cezary CzaplewskiDIST2_CUT correction
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2016-04-29 Cezary Czaplewskinext correction to last commit with DIST2_CUT
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2016-04-29 Cezary Czaplewskicorrection to last commit with DIST2_CUT
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2016-04-29 Cezary CzaplewskiDIST2_CUT introduced for homology to remove restraints
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2016-04-29 Cezary Czaplewskictest -DUNRES_MPIRUN=1 for tryton
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2016-04-29 Cezary Czaplewskisigma read from *.sco without 0.5d0*(rescore_tmp+0...
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2016-04-28 Cezary Czaplewskimremd with homology constrains can start each replica...
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2016-04-28 Cezary Czaplewskictest for src-M are off
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2016-04-27 Cezary Czaplewskictest for empty stat files
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2016-04-27 Cezary Czaplewskiunres_pdb last dummy residue corrected as in prerelease
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2016-04-27 Cezary Czaplewskictest copied from prerelease
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2016-04-22 Cezary Czaplewskicmake -DUNRES_DFA to switch on DFA in unres
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2016-04-12 Cezary Czaplewskiconstr_homol corrections in wham and cluster_wham to...
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2016-04-12 Cezary Czaplewskiwham corrections
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2016-04-12 Cezary Czaplewskifirst and last GLY in seq gives correct energy in unres...
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2016-03-18 Cezary Czaplewskiarcos = 0.5D0*(PI-DSIGN(1.0D0,X)*PI)
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2016-03-16 Cezary CzaplewskiAdam's corrections to wham
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2016-03-04 Cezary CzaplewskiAdam's changes to wham and cluster following previous...
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2016-03-04 Cezary CzaplewskiAdam's changes to avoid wrong XG.. or ..GX sequence...
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2016-03-03 Cezary Czaplewskimax_template instead of fix number 19 in wham and cluster
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2016-03-03 Cezary Czaplewskicorrections to changes form nostromo
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2016-03-03 Cezary Czaplewskichanges from nostromo
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2016-02-25 Cezary Czaplewskidefault iset in cluster_wham set to 1
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2016-02-25 Cezary Czaplewskisome corrections to previous commit from nostromo
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2016-02-25 Cezary CzaplewskiAdam's changes from nostromo to wham with homology
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2016-02-17 Cezary Czaplewskicorrection for homol_nset>1 and waga_homology(iset...
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2016-01-28 Cezary Czaplewskicompilation of large cluster_wham with -mcmodel=medium...
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2016-01-28 Cezary Czaplewskicompilation of large wham with -mcmodel=medium -shared...
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2016-01-28 Cezary Czaplewskicorrection to cluter_wham
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2016-01-28 Cezary Czaplewskicleaning (links and backup files)
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UNRESPACK 3.x