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unres.git
2018-01-08 Cezary CzaplewskiSAXS cutoff saxs_cutoff.eq.0 commit | commitdiff | tree | snapshot
2018-01-03 Cezary CzaplewskiSAXS cutoff correct gradiend and cutoff scaling commit | commitdiff | tree | snapshot
2018-01-02 Cezary CzaplewskiSAXS cutoff correction commit | commitdiff | tree | snapshot
2018-01-02 Cezary CzaplewskiSAXS cutoff correction commit | commitdiff | tree | snapshot
2018-01-02 Cezary CzaplewskiDiL PARAM update commit | commitdiff | tree | snapshot
2018-01-02 Cezary CzaplewskiSAXS cutoff commit | commitdiff | tree | snapshot
2017-12-22 Cezary Czaplewskixdrf2pdb D amino commit | commitdiff | tree | snapshot
2017-12-21 Cezary Czaplewskixdrf2pdb-m-mult time t_bath printout commit | commitdiff | tree | snapshot
2017-12-21 Cezary Czaplewskisaxs SCAL_RAD input parameter commit | commitdiff | tree | snapshot
2017-12-19 Cezary Czaplewskictest wham & cluster src-M commit | commitdiff | tree | snapshot
2017-12-17 Cezary Czaplewskisaxs and adam's corrections to multichain commit | commitdiff | tree | snapshot
2017-10-04 Cezary Czaplewskixdrf2pdb-m MREMD no uconst_back commit | commitdiff | tree | snapshot
2017-09-29 Cezary Czaplewskipgf90 common cleaning commit | commitdiff | tree | snapshot
2017-09-29 Cezary Czaplewskicmake pgf90 commit | commitdiff | tree | snapshot
2017-09-29 Cezary Czaplewskiisnan_pgi commit | commitdiff | tree | snapshot
2017-09-28 Cezary Czaplewskigfortran error commit | commitdiff | tree | snapshot
2017-09-28 Cezary Czaplewskigfortran error commit | commitdiff | tree | snapshot
2017-09-27 Cezary Czaplewskirm uscdiff commit | commitdiff | tree | snapshot
2017-09-26 Cezary Czaplewskirm uscdiff commit | commitdiff | tree | snapshot
2017-09-26 Cezary Czaplewskigfortran errors commit | commitdiff | tree | snapshot
2017-09-26 Cezary Czaplewskigfortran error commit | commitdiff | tree | snapshot
2017-09-26 Cezary Czaplewskicmake config typo commit | commitdiff | tree | snapshot
2017-09-26 Cezary Czaplewskigfortran wham and cluster -mcmodel=medium commit | commitdiff | tree | snapshot
2017-09-26 Cezary Czaplewskiimax0 not in gfortran commit | commitdiff | tree | snapshot
2017-09-25 Cezary Czaplewskidimensions commit | commitdiff | tree | snapshot
2017-08-26 Cezary Czaplewskifiles for opt-wtfsa-2 and chainbuild_ext commit | commitdiff | tree | snapshot
2017-08-25 Cezary Czaplewskiremd random start loop until low ene commit | commitdiff | tree | snapshot
2017-08-12 Cezary Czaplewskimultichain cleaning output commit | commitdiff | tree | snapshot
2017-08-12 Cezary Czaplewskimultichain cluster can select number of clusters instea... commit | commitdiff | tree | snapshot
2017-08-12 Cezary Czaplewskiunres multichain extconf MD chainbuild commit | commitdiff | tree | snapshot
2017-03-21 Cezary Czaplewskicompiler directive UNROLL(0) in eturn3 commit | commitdiff | tree | snapshot
2017-03-10 Cezary Czaplewskicorrect gradient on cray okeanos commit | commitdiff | tree | snapshot
2017-03-10 Cezary CzaplewskiAdasko D-aminoacid correction commit | commitdiff | tree | snapshot
2017-03-09 Cezary Czaplewskictest src_MD-M ref ene and missing files commit | commitdiff | tree | snapshot
2017-03-09 Cezary Czaplewskictest src_MD-M corrections commit | commitdiff | tree | snapshot
2017-03-09 Cezary Czaplewskictest checkgrad ref ene and limits commit | commitdiff | tree | snapshot
2017-03-04 Cezary Czaplewskictest checkgrad commit | commitdiff | tree | snapshot
2017-03-04 Cezary Czaplewskictest commit | commitdiff | tree | snapshot
2017-03-04 Cezary Czaplewskictest ene multichain commit | commitdiff | tree | snapshot
2017-03-03 Cezary Czaplewskictest too large output from some tests commit | commitdiff | tree | snapshot
2017-03-03 Cezary Czaplewskictest multichain commit | commitdiff | tree | snapshot
2017-03-02 Cezary Czaplewskictest wham cluster commit | commitdiff | tree | snapshot
2017-02-28 Cezary Czaplewskictest energy homology test commit | commitdiff | tree | snapshot
2017-02-28 Cezary Czaplewskictest correction commit | commitdiff | tree | snapshot
2017-02-28 Cezary Czaplewskictest correction commit | commitdiff | tree | snapshot
2017-02-28 Cezary Czaplewskictest dfa and homology commit | commitdiff | tree | snapshot
2017-02-27 Cezary Czaplewskictest corrections commit | commitdiff | tree | snapshot
2017-02-27 Cezary Czaplewskictest minim cart test not working for prota.pdb using... commit | commitdiff | tree | snapshot
2017-02-27 Cezary Czaplewskictest checkgrad added commit | commitdiff | tree | snapshot
2017-02-27 Cezary Czaplewski checkgrad after minim with return code <> 4 commit | commitdiff | tree | snapshot
2017-02-24 Cezary Czaplewskicluster wham src-M corrections to match unres energy commit | commitdiff | tree | snapshot
2017-02-24 Cezary Czaplewskiwham src-M corrections to match unres energy commit | commitdiff | tree | snapshot
2017-02-23 Cezary Czaplewskicheckgrad_inc added to input for checkgrad cart commit | commitdiff | tree | snapshot
2017-02-23 Cezary Czaplewskihomology dihederal i-3 gradient correction src_MD commit | commitdiff | tree | snapshot
2017-02-22 Cezary Czaplewskihomology dihederal i-3 gradient correction commit | commitdiff | tree | snapshot
2017-02-22 Cezary Czaplewskifix checkgrad usampl conflict with homology commit | commitdiff | tree | snapshot
2017-02-22 Cezary Czaplewskicorrections to numerical and sccor analytical gradient commit | commitdiff | tree | snapshot
2017-02-16 Cezary Czaplewskienergy of unres src_MD-M match prerelease commit | commitdiff | tree | snapshot
2016-09-14 Cezary Czaplewskiincrease to 20 max nset waga_homology(20) commit | commitdiff | tree | snapshot
2016-09-13 Cezary CzaplewskiHOMOL_NSET in wham input keyword correction commit | commitdiff | tree | snapshot
2016-08-24 Cezary CzaplewskiLorentzian restraints on distances in cluster_wham commit | commitdiff | tree | snapshot
2016-08-24 Cezary CzaplewskiLorentzian restraints on distances in wham commit | commitdiff | tree | snapshot
2016-08-23 Cezary CzaplewskiLorenz restraints on distances commit | commitdiff | tree | snapshot
2016-07-04 Cezary Czaplewskimultichain debug print removed (no fort.2 file) commit | commitdiff | tree | snapshot
2016-07-04 Cezary Czaplewskimultichain maxres=1000 commit | commitdiff | tree | snapshot
2016-06-26 Cezary Czaplewskiwham also in single chain ignores conf. energies>10E6 commit | commitdiff | tree | snapshot
2016-06-19 Cezary Czaplewskicorrection for idihconstr_end_homo, no differ in wham now commit | commitdiff | tree | snapshot
2016-06-14 Cezary Czaplewskimultichain wham and cluster_wham use readpdb_template commit | commitdiff | tree | snapshot
2016-06-11 Cezary Czaplewskicorrection to the last commit - cleaning of homo restraints commit | commitdiff | tree | snapshot
2016-06-10 Cezary Czaplewskimultichain wham ignores conf. energies>10E6 and speed... commit | commitdiff | tree | snapshot
2016-06-08 Cezary Czaplewskisingle chain correction of dihedral homology restraints... commit | commitdiff | tree | snapshot
2016-06-08 Cezary Czaplewskiunres src_MD max_template=25 commit | commitdiff | tree | snapshot
2016-05-25 Cezary Czaplewskiintel compiler option correction for wham/src-M commit | commitdiff | tree | snapshot
2016-05-19 Cezary Czaplewskiminim and preminim in cart for large proteins commit | commitdiff | tree | snapshot
2016-05-19 Cezary Czaplewskistart_from_models working with multichain commit | commitdiff | tree | snapshot
2016-05-19 Cezary Czaplewskicorrection of dihedral homology restraints phi(i+3) commit | commitdiff | tree | snapshot
2016-05-12 Cezary CzaplewskiMaxT_h=36 commit | commitdiff | tree | snapshot
2016-05-12 Cezary Czaplewskithe first working version of multichain homology commit | commitdiff | tree | snapshot
2016-05-10 Cezary CzaplewskiPARAM update ext commit | commitdiff | tree | snapshot
2016-05-10 Cezary CzaplewskiPARAM update ext commit | commitdiff | tree | snapshot
2016-05-10 Cezary Czaplewskiupdate of PARAM - new maxliq and ext for src-M parameters commit | commitdiff | tree | snapshot
2016-05-10 Cezary Czaplewskiupdates from src_MD to src_MD-M for unres commit | commitdiff | tree | snapshot
2016-05-05 Cezary Czaplewskidfa wham and cluster corrections commit | commitdiff | tree | snapshot
2016-05-05 Cezary Czaplewskiread2sigma in wham and cluster_wham commit | commitdiff | tree | snapshot
2016-04-29 Cezary CzaplewskiDIST2_CUT correction commit | commitdiff | tree | snapshot
2016-04-29 Cezary Czaplewskinext correction to last commit with DIST2_CUT commit | commitdiff | tree | snapshot
2016-04-29 Cezary Czaplewskicorrection to last commit with DIST2_CUT commit | commitdiff | tree | snapshot
2016-04-29 Cezary CzaplewskiDIST2_CUT introduced for homology to remove restraints commit | commitdiff | tree | snapshot
2016-04-29 Cezary Czaplewskictest -DUNRES_MPIRUN=1 for tryton commit | commitdiff | tree | snapshot
2016-04-29 Cezary Czaplewskisigma read from *.sco without 0.5d0*(rescore_tmp+0... commit | commitdiff | tree | snapshot
2016-04-28 Cezary Czaplewskimremd with homology constrains can start each replica... commit | commitdiff | tree | snapshot
2016-04-28 Cezary Czaplewskictest for src-M are off commit | commitdiff | tree | snapshot
2016-04-27 Cezary Czaplewskictest for empty stat files commit | commitdiff | tree | snapshot
2016-04-27 Cezary Czaplewskiunres_pdb last dummy residue corrected as in prerelease commit | commitdiff | tree | snapshot
2016-04-27 Cezary Czaplewskictest copied from prerelease commit | commitdiff | tree | snapshot
2016-04-22 Cezary Czaplewskicmake -DUNRES_DFA to switch on DFA in unres commit | commitdiff | tree | snapshot
2016-04-12 Cezary Czaplewskiconstr_homol corrections in wham and cluster_wham to... commit | commitdiff | tree | snapshot
2016-04-12 Cezary Czaplewskiwham corrections commit | commitdiff | tree | snapshot
2016-04-12 Cezary Czaplewskifirst and last GLY in seq gives correct energy in unres... commit | commitdiff | tree | snapshot
2016-03-18 Cezary Czaplewskiarcos = 0.5D0*(PI-DSIGN(1.0D0,X)*PI) commit | commitdiff | tree | snapshot
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UNRESPACK 3.x