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NMRpeak_partition after hpb_partition
[unres.git] / source / unres /
2018-08-08 Cezary CzaplewskiNMRpeak_partition after hpb_partition tree | commitdiff
2018-08-07 Cezary CzaplewskiNMR log-exp from Adam tree | commitdiff
2018-07-25 Cezary Czaplewskiout-of-bounds stdfsc from Adam tree | commitdiff
2018-07-11 Cezary CzaplewskiREAD_HOMOL_FRAG unres src_MD-M tree | commitdiff
2018-07-06 Cezary Czaplewskisaxs fgproc>1 Adam's correction tree | commitdiff
2018-06-22 Cezary Czaplewskiread_cart correction tree | commitdiff
2018-06-22 Cezary CzaplewskiAdam's new constr_dist single chain tree | commitdiff
2018-06-22 Cezary Czaplewskirlornmr1 tree | commitdiff
2018-06-22 Cezary CzaplewskiAdam's new constr_dist tree | commitdiff
2018-05-25 Cezary Czaplewskimax_template=50 tree | commitdiff
2018-05-22 Cezary Czaplewskisc_move slower total energy that works for FGPROCS>1 tree | commitdiff
2018-05-21 Cezary Czaplewskioverlap only master FGPROCS>1 tree | commitdiff
2018-05-16 Cezary Czaplewskiunres src_MD-M now HOMOL energy tree | commitdiff
2018-05-16 Cezary Czaplewskienergy_dec src_MD tree | commitdiff
2018-05-07 Cezary CzaplewskiHOMOL klapaucjusz correction tree | commitdiff
2018-04-24 Cezary CzaplewskiHOMOL new dihed constrain cos function tree | commitdiff
2018-04-20 Cezary Czaplewskinew HOMOL energy tree | commitdiff
2018-04-17 Cezary Czaplewskirescore=0.2 rescore2=1.0 mdpdb append tree | commitdiff
2018-03-26 Cezary CzaplewskiREAD_HOMOL_FRAG tree | commitdiff
2018-03-22 Cezary Czaplewskiparallel DFA_D DFA_T DFA_N tree | commitdiff
2018-03-21 Cezary Czaplewskidfa prints correct error missing files tree | commitdiff
2018-01-31 Cezary Czaplewskimultichain geomout corrected tree | commitdiff
2018-01-27 Cezary Czaplewskiwsaxs0 and map tree | commitdiff
2018-01-08 Cezary CzaplewskiSAXS cutoff saxs_cutoff.eq.0 tree | commitdiff
2018-01-03 Cezary CzaplewskiSAXS cutoff correct gradiend and cutoff scaling tree | commitdiff
2018-01-02 Cezary CzaplewskiSAXS cutoff correction tree | commitdiff
2018-01-02 Cezary CzaplewskiSAXS cutoff correction tree | commitdiff
2018-01-02 Cezary CzaplewskiSAXS cutoff tree | commitdiff
2017-12-21 Cezary Czaplewskisaxs SCAL_RAD input parameter tree | commitdiff
2017-12-17 Cezary Czaplewskisaxs and adam's corrections to multichain tree | commitdiff
2017-09-29 Cezary Czaplewskicmake pgf90 tree | commitdiff
2017-09-28 Cezary Czaplewskigfortran error tree | commitdiff
2017-09-28 Cezary Czaplewskigfortran error tree | commitdiff
2017-09-26 Cezary Czaplewskiimax0 not in gfortran tree | commitdiff
2017-09-25 Cezary Czaplewskidimensions tree | commitdiff
2017-08-26 Cezary Czaplewskifiles for opt-wtfsa-2 and chainbuild_ext tree | commitdiff
2017-08-25 Cezary Czaplewskiremd random start loop until low ene tree | commitdiff
2017-08-12 Cezary Czaplewskimultichain cleaning output tree | commitdiff
2017-08-12 Cezary Czaplewskiunres multichain extconf MD chainbuild tree | commitdiff
2017-03-21 Cezary Czaplewskicompiler directive UNROLL(0) in eturn3 tree | commitdiff
2017-03-10 Cezary Czaplewskicorrect gradient on cray okeanos tree | commitdiff
2017-03-10 Cezary CzaplewskiAdasko D-aminoacid correction tree | commitdiff
2017-03-09 Cezary Czaplewskictest src_MD-M ref ene and missing files tree | commitdiff
2017-03-04 Cezary Czaplewskictest ene multichain tree | commitdiff
2017-03-03 Cezary Czaplewskictest too large output from some tests tree | commitdiff
2017-03-03 Cezary Czaplewskictest multichain tree | commitdiff
2017-02-28 Cezary Czaplewskictest dfa and homology tree | commitdiff
2017-02-27 Cezary Czaplewskictest checkgrad added tree | commitdiff
2017-02-27 Cezary Czaplewski checkgrad after minim with return code <> 4 tree | commitdiff
2017-02-23 Cezary Czaplewskicheckgrad_inc added to input for checkgrad cart tree | commitdiff
2017-02-23 Cezary Czaplewskihomology dihederal i-3 gradient correction src_MD tree | commitdiff
2017-02-22 Cezary Czaplewskihomology dihederal i-3 gradient correction tree | commitdiff
2017-02-22 Cezary Czaplewskifix checkgrad usampl conflict with homology tree | commitdiff
2017-02-22 Cezary Czaplewskicorrections to numerical and sccor analytical gradient tree | commitdiff
2017-02-16 Cezary Czaplewskienergy of unres src_MD-M match prerelease tree | commitdiff
2016-08-23 Cezary CzaplewskiLorenz restraints on distances tree | commitdiff
2016-07-04 Cezary Czaplewskimultichain debug print removed (no fort.2 file) tree | commitdiff
2016-07-04 Cezary Czaplewskimultichain maxres=1000 tree | commitdiff
2016-06-19 Cezary Czaplewskicorrection for idihconstr_end_homo, no differ in wham now tree | commitdiff
2016-06-14 Cezary Czaplewskimultichain wham and cluster_wham use readpdb_template tree | commitdiff
2016-06-11 Cezary Czaplewskicorrection to the last commit - cleaning of homo restraints tree | commitdiff
2016-06-10 Cezary Czaplewskimultichain wham ignores conf. energies>10E6 and speed... tree | commitdiff
2016-06-08 Cezary Czaplewskisingle chain correction of dihedral homology restraints... tree | commitdiff
2016-06-08 Cezary Czaplewskiunres src_MD max_template=25 tree | commitdiff
2016-05-19 Cezary Czaplewskiminim and preminim in cart for large proteins tree | commitdiff
2016-05-19 Cezary Czaplewskistart_from_models working with multichain tree | commitdiff
2016-05-19 Cezary Czaplewskicorrection of dihedral homology restraints phi(i+3) tree | commitdiff
2016-05-10 Cezary Czaplewskiupdates from src_MD to src_MD-M for unres tree | commitdiff
2016-04-29 Cezary CzaplewskiDIST2_CUT correction tree | commitdiff
2016-04-29 Cezary Czaplewskinext correction to last commit with DIST2_CUT tree | commitdiff
2016-04-29 Cezary Czaplewskicorrection to last commit with DIST2_CUT tree | commitdiff
2016-04-29 Cezary CzaplewskiDIST2_CUT introduced for homology to remove restraints tree | commitdiff
2016-04-29 Cezary Czaplewskictest -DUNRES_MPIRUN=1 for tryton tree | commitdiff
2016-04-29 Cezary Czaplewskisigma read from *.sco without 0.5d0*(rescore_tmp+0... tree | commitdiff
2016-04-28 Cezary Czaplewskimremd with homology constrains can start each replica... tree | commitdiff
2016-04-28 Cezary Czaplewskictest for src-M are off tree | commitdiff
2016-04-27 Cezary Czaplewskiunres_pdb last dummy residue corrected as in prerelease tree | commitdiff
2016-04-27 Cezary Czaplewskictest copied from prerelease tree | commitdiff
2016-04-22 Cezary Czaplewskicmake -DUNRES_DFA to switch on DFA in unres tree | commitdiff
2016-04-12 Cezary Czaplewskifirst and last GLY in seq gives correct energy in unres... tree | commitdiff
2016-03-04 Cezary CzaplewskiAdam's changes to avoid wrong XG.. or ..GX sequence... tree | commitdiff
2016-03-03 Cezary Czaplewskicorrections to changes form nostromo tree | commitdiff
2016-03-03 Cezary Czaplewskichanges from nostromo tree | commitdiff
2016-02-17 Cezary Czaplewskicorrection for homol_nset>1 and waga_homology(iset... tree | commitdiff
2016-01-28 Cezary Czaplewskimax_template=25 tree | commitdiff
2016-01-28 Cezary Czaplewski all CMakeLists.txt updated with corrected names and... tree | commitdiff
2015-11-30 Cezary CzaplewskiEhomology printout with PRINT_COMPON tree | commitdiff
2015-11-30 Cezary Czaplewskitimlim function ovrtim only on master and MPI_Bcast tree | commitdiff
2015-11-22 Cezary CzaplewskiCONSTR_HOMOL in mutlichain, debug and output cleaning tree | commitdiff
2015-10-27 Cezary CzaplewskiENERGY_DEC printout works for ESTR tree | commitdiff
2015-10-26 Cezary CzaplewskiENERGY_DEC printout works for ebend in E0LL2Y forcefield tree | commitdiff
2015-10-23 Cezary Czaplewskipreminim in multichain code tree | commitdiff
2015-10-20 Cezary Czaplewskichanges to avoid problems with MPI_Scatterv in mpich2... tree | commitdiff
2015-10-20 Cezary CzaplewskiAdasko's changes to ebend tree | commitdiff
2015-10-08 Cezary Czaplewskienergy_dec works with etors_d tree | commitdiff
2015-10-06 Cezary Czaplewskiunres src_MD-M from branch Multichain tree | commitdiff
2015-09-30 Cezary CzaplewskiMerge branch 'homology' of mmka.chem.univ.gda.pl:unres... tree | commitdiff
2015-09-30 Cezary Czaplewskicutoff for dfa beta formation to speed up calculations tree | commitdiff
2015-08-01 Cezary Czaplewskiread2sigma - now without this option code works as... tree | commitdiff
2015-07-31 Cezary Czaplewskirestoring read2sigma code after wrong merge tree | commitdiff
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UNRESPACK 3.x