unres.git
2017-03-09 Cezary Czaplewskictest checkgrad ref ene and limits
2017-03-04 Cezary Czaplewskictest checkgrad
2017-03-04 Cezary Czaplewskictest
2017-03-04 Cezary Czaplewskictest ene multichain
2017-03-03 Cezary Czaplewskictest too large output from some tests
2017-03-03 Cezary Czaplewskictest multichain
2017-03-02 Cezary Czaplewskictest wham cluster
2017-02-28 Cezary Czaplewskictest energy homology test
2017-02-28 Cezary Czaplewskictest correction
2017-02-28 Cezary Czaplewskictest correction
2017-02-28 Cezary Czaplewskictest dfa and homology
2017-02-27 Cezary Czaplewskictest corrections
2017-02-27 Cezary Czaplewskictest minim cart test not working for prota.pdb using...
2017-02-27 Cezary Czaplewskictest checkgrad added
2017-02-27 Cezary Czaplewski checkgrad after minim with return code <> 4
2017-02-24 Cezary Czaplewskicluster wham src-M corrections to match unres energy
2017-02-24 Cezary Czaplewskiwham src-M corrections to match unres energy
2017-02-23 Cezary Czaplewskicheckgrad_inc added to input for checkgrad cart
2017-02-23 Cezary Czaplewskihomology dihederal i-3 gradient correction src_MD
2017-02-22 Cezary Czaplewskihomology dihederal i-3 gradient correction
2017-02-22 Cezary Czaplewskifix checkgrad usampl conflict with homology
2017-02-22 Cezary Czaplewskicorrections to numerical and sccor analytical gradient
2017-02-16 Cezary Czaplewskienergy of unres src_MD-M match prerelease
2016-09-14 Cezary Czaplewskiincrease to 20 max nset waga_homology(20)
2016-09-13 Cezary CzaplewskiHOMOL_NSET in wham input keyword correction
2016-08-24 Cezary CzaplewskiLorentzian restraints on distances in cluster_wham
2016-08-24 Cezary CzaplewskiLorentzian restraints on distances in wham
2016-08-23 Cezary CzaplewskiLorenz restraints on distances
2016-07-04 Cezary Czaplewskimultichain debug print removed (no fort.2 file)
2016-07-04 Cezary Czaplewskimultichain maxres=1000
2016-06-26 Cezary Czaplewskiwham also in single chain ignores conf. energies>10E6
2016-06-19 Cezary Czaplewskicorrection for idihconstr_end_homo, no differ in wham now
2016-06-14 Cezary Czaplewskimultichain wham and cluster_wham use readpdb_template
2016-06-11 Cezary Czaplewskicorrection to the last commit - cleaning of homo restraints
2016-06-10 Cezary Czaplewskimultichain wham ignores conf. energies>10E6 and speed...
2016-06-08 Cezary Czaplewskisingle chain correction of dihedral homology restraints...
2016-06-08 Cezary Czaplewskiunres src_MD max_template=25
2016-05-25 Cezary Czaplewskiintel compiler option correction for wham/src-M
2016-05-19 Cezary Czaplewskiminim and preminim in cart for large proteins
2016-05-19 Cezary Czaplewskistart_from_models working with multichain
2016-05-19 Cezary Czaplewskicorrection of dihedral homology restraints phi(i+3)
2016-05-12 Cezary CzaplewskiMaxT_h=36
2016-05-12 Cezary Czaplewskithe first working version of multichain homology
2016-05-10 Cezary CzaplewskiPARAM update ext
2016-05-10 Cezary CzaplewskiPARAM update ext
2016-05-10 Cezary Czaplewskiupdate of PARAM - new maxliq and ext for src-M parameters
2016-05-10 Cezary Czaplewskiupdates from src_MD to src_MD-M for unres
2016-05-05 Cezary Czaplewskidfa wham and cluster corrections
2016-05-05 Cezary Czaplewskiread2sigma in wham and cluster_wham
2016-04-29 Cezary CzaplewskiDIST2_CUT correction
2016-04-29 Cezary Czaplewskinext correction to last commit with DIST2_CUT
2016-04-29 Cezary Czaplewskicorrection to last commit with DIST2_CUT
2016-04-29 Cezary CzaplewskiDIST2_CUT introduced for homology to remove restraints
2016-04-29 Cezary Czaplewskictest -DUNRES_MPIRUN=1 for tryton
2016-04-29 Cezary Czaplewskisigma read from *.sco without 0.5d0*(rescore_tmp+0...
2016-04-28 Cezary Czaplewskimremd with homology constrains can start each replica...
2016-04-28 Cezary Czaplewskictest for src-M are off
2016-04-27 Cezary Czaplewskictest for empty stat files
2016-04-27 Cezary Czaplewskiunres_pdb last dummy residue corrected as in prerelease
2016-04-27 Cezary Czaplewskictest copied from prerelease
2016-04-22 Cezary Czaplewskicmake -DUNRES_DFA to switch on DFA in unres
2016-04-12 Cezary Czaplewskiconstr_homol corrections in wham and cluster_wham to...
2016-04-12 Cezary Czaplewskiwham corrections
2016-04-12 Cezary Czaplewskifirst and last GLY in seq gives correct energy in unres...
2016-03-18 Cezary Czaplewskiarcos = 0.5D0*(PI-DSIGN(1.0D0,X)*PI)
2016-03-16 Cezary CzaplewskiAdam's corrections to wham
2016-03-04 Cezary CzaplewskiAdam's changes to wham and cluster following previous...
2016-03-04 Cezary CzaplewskiAdam's changes to avoid wrong XG.. or ..GX sequence...
2016-03-03 Cezary Czaplewskimax_template instead of fix number 19 in wham and cluster
2016-03-03 Cezary Czaplewskicorrections to changes form nostromo
2016-03-03 Cezary Czaplewskichanges from nostromo
2016-02-25 Cezary Czaplewskidefault iset in cluster_wham set to 1
2016-02-25 Cezary Czaplewskisome corrections to previous commit from nostromo
2016-02-25 Cezary CzaplewskiAdam's changes from nostromo to wham with homology
2016-02-17 Cezary Czaplewskicorrection for homol_nset>1 and waga_homology(iset...
2016-01-28 Cezary Czaplewskicompilation of large cluster_wham with -mcmodel=medium...
2016-01-28 Cezary Czaplewskicompilation of large wham with -mcmodel=medium -shared...
2016-01-28 Cezary Czaplewskicorrection to cluter_wham
2016-01-28 Cezary Czaplewskicleaning (links and backup files)
2016-01-28 Cezary Czaplewski wham with mpich2 (no aliasing) and new dimenstions
2016-01-28 Cezary Czaplewskimax_template=25
2016-01-28 Cezary Czaplewski all CMakeLists.txt updated with corrected names and...
2016-01-28 Cezary Czaplewskicorrection - adding ehomology_constr
2015-11-30 Cezary CzaplewskiEhomology printout with PRINT_COMPON
2015-11-30 Cezary Czaplewskitimlim function ovrtim only on master and MPI_Bcast
2015-11-22 Cezary CzaplewskiMerge branch 'homology' of mmka.chem.univ.gda.pl:unres...
2015-11-22 Cezary CzaplewskiCONSTR_HOMOL in mutlichain, debug and output cleaning
2015-10-27 Cezary Czaplewskiprintmat added to cmake
2015-10-27 Cezary CzaplewskiENERGY_DEC printout works for ESTR
2015-10-26 Cezary CzaplewskiENERGY_DEC printout works for ebend in E0LL2Y forcefield
2015-10-23 Cezary Czaplewskipreminim in multichain code
2015-10-20 Cezary Czaplewskichanges to avoid problems with MPI_Scatterv in mpich2...
2015-10-20 Cezary CzaplewskiAdasko's changes to ebend
2015-10-08 Cezary Czaplewskienergy_dec works with etors_d
2015-10-06 Cezary Czaplewskiunres src_MD-M from branch Multichain
2015-09-30 Cezary Czaplewskicmake is working for cluster_unres
2015-09-30 Adam LiwoMerge branch 'homology' of mmka.chem.univ.gda.pl:unres...
2015-09-30 Adam LiwoAdded main_clust.F
2015-09-30 Cezary CzaplewskiMerge branch 'homology' of mmka.chem.univ.gda.pl:unres...
2015-09-30 Cezary Czaplewskicutoff for dfa beta formation to speed up calculations
next