ctest 2 correction
[unres.git] / source /
2020-04-04 Cezary Czaplewskireadpdb & fort.2 from unres
2020-04-01 Cezary Czaplewskipdbread & boxshift
2020-03-30 Cezary Czaplewskisrc-HCD-5D with no 5D
2020-03-30 Cezary Czaplewskiwham cluster newcorr -DFIVEDIAG
2020-03-28 Cezary CzaplewskiAdam's corrections
2020-03-27 Cezary CzaplewskiAdam's 5D respa
2020-03-27 Cezary Czaplewskictest dock srun correction
2020-03-27 Cezary Czaplewskictest dock srun
2020-03-26 Cezary Czaplewskictest dock 5D
2020-03-26 Cezary Czaplewskiupdate HCD-5D
2020-03-24 Cezary Czaplewski5D update
2020-03-24 Cezary Czaplewskisrc-HCD-5D update
2020-03-24 Cezary Czaplewskimake cp src-HCD-5D
2020-03-24 Cezary Czaplewskicopy src_MD-M-SAXS-homology src-HCD-5D
2020-03-22 Cezary Czaplewskicmake ftn okeanos cray XC40 correction
2020-03-22 Cezary Czaplewskicmake ftn okeanos cray XC40
2020-03-22 Cezary Czaplewskictest newcorr dfa dell15
2020-03-22 Cezary Czaplewskictest dfa newcorr dell15
2020-03-22 Cezary Czaplewskictest dfa newcorr
2020-03-22 Cezary Czaplewskictest dfa
2020-03-22 Cezary Czaplewskictest newcorr & dfa
2020-03-22 Cezary Czaplewskictest dfa
2020-03-20 Cezary Czaplewskictest NEWCORR
2020-03-20 Cezary Czaplewskictest cluster uniq output (avoid in dash "Over 10000...
2020-03-20 Cezary Czaplewskictest csa - commented
2020-03-20 Cezary Czaplewskictest dock wham and old source rm
2020-03-20 Cezary Czaplewskictest dock NEWCORR
2020-03-20 Cezary Czaplewskicluster debug off
2020-03-20 Cezary Czaplewskidock wham diff
2020-03-19 Cezary Czaplewskicmake NEWCORR
2020-03-19 Cezary Czaplewskirm JESTEM printout
2020-03-19 Cezary Czaplewskictest UNRES_M_MD_microcanonical
2020-03-19 Cezary Czaplewskictest plot UNRES_M_MD_microcanonical
2020-03-18 Cezary Czaplewskienergy_dec print_compon
2020-03-17 Cezary Czaplewskisco format read2sigma wham cluster_wham
2020-03-16 Cezary Czaplewskigfortran geomout.F:(.text+0x48df): relocation truncated...
2020-03-15 Cezary Czaplewskigfortran geomout.F:(.text+0x48df): relocation truncated...
2020-03-15 Cezary Czaplewskiisnan logical isnan(potEcomp(0)).gt.0
2020-03-15 Cezary Czaplewskictest csa grep -v GenSide
2020-03-15 Cezary Czaplewskictest csa
2020-03-15 Cezary Czaplewskictest unres
2020-03-15 Cezary Czaplewskictest wham
2020-03-15 Cezary Czaplewskictest wham
2020-03-14 Cezary Czaplewskicleaning ln xdrf
2020-03-14 Cezary Czaplewskictest cluster wham dfa
2020-03-14 Cezary Czaplewskictest cluster wham
2020-03-14 Cezary Czaplewskictest xdrf2pdb
2020-03-14 Cezary Czaplewskicluster unres
2020-03-14 Cezary Czaplewskicleaning and csa update
2016-03-10 Pawel KrupaCalculation of folded fractions (at given RMSD cutoff...
2015-10-26 Pawel KrupaOptimization of the solution for the disulfide problem.
2015-10-21 Adam Sieradzantrial for X-Cys-Cys-X sequences
2015-10-21 Adam Sieradzanwham debug off and bug fix for dtriss =0
2015-10-21 Adam Sieradzanwham debug on
2015-09-22 Adam Sieradzandebug in respa
2015-09-03 Adam Sieradzanbug fix in WHAM for disulfides
2015-08-03 Adam Sieradzan1) debug of Lorentzian like constrains in cluster 2...
2015-08-02 Adam Sieradzanfirst introduction of valence constrains - not working yet
2015-07-31 Adam Sieradzanintroduction of different ftors for each site
2015-07-28 Adam SieradzanIntoduction Lorentizan like restrains to cluster
2015-07-21 Adam SieradzanWHAM for Lorentzian like constrains fixed - DEBUG OFF
2015-07-20 Adam Sieradzandebuging WHAM for constrains DEBUG ON
2015-07-10 Adam Sieradzanintroduction of quartic an Lonrentz constrains to WHAM
2015-07-06 Adam Sieradzanintoduction of quartic restrains in multichain, bugfix...
2015-07-03 Adam SieradzanWeFold Lorentzian like potentials introduction
2015-06-24 Dawid JagielaMerge branch 'devel' of mmka.chem.univ.gda.pl:unres...
2015-06-24 Dawid Jagielaremoved uninitialized ghalf from equation
2015-05-27 Adam Sieradzanworking cluster for dyn_ss and triss
2015-05-26 Adam SieradzanDebug cluster part 2
2015-05-26 Adam SieradzanCluster debug ON
2015-05-26 Adam Sieradzanhavebond turnoff
2015-05-26 Adam Sieradzan correction of readrtns
2015-05-26 Adam SieradzanMerge branch 'devel' of mmka:unres into devel
2015-05-26 Adam Sieradzanenergy_dec to logical
2015-05-26 Dawid Jagielaremoved obsolite code in ssMD.F files
2015-05-26 Adam SieradzanIntroduction of dyn_ss and triss to cluster
2015-05-25 Adam Sieradzanhidden part of debug
2015-05-25 Adam Sieradzannss*ebr removed
2015-05-25 Adam Sieradzancxread debug 7
2015-05-25 Adam Sieradzandebug part 6
2015-05-25 Adam SieradzanDebug 5
2015-05-25 Adam Sieradzananother DEBUG
2015-05-25 Adam Sieradzandubug dss part 3
2015-05-25 Adam Sieradzandiffrent name for evdw
2015-05-25 Adam SieradzanTRISS debug
2015-05-25 Adam SieradzanWarnig Debug ON
2015-05-24 Adam SieradzanCorrected WHAM and UNRES reading in SS dyn...
2015-05-23 Adam SieradzanIntroduction of working dyn_ss and triss. Problems...
2015-05-23 Adam SieradzanCorrection in readrtns
2015-05-23 Adam SieradzanChange in line of dyn_ss
2015-05-22 Adam SieradzanMerge branch 'devel' of mmka:unres into devel
2015-05-22 Adam SieradzanAdding dyn_ss and triss potentials to src-M wham
2015-05-22 Pawel KrupaMerge branch 'devel' of mmka.chem.univ.gda.pl:unres...
2015-05-22 Pawel KrupaFixed bug in reading trisulfide potentials (atriss...
2015-05-06 Dawid Jagielafixed install binary paths
2015-04-21 Pawel KrupaMPICH2 and energy fixes in WHAM-M and Cluster-M.
2015-04-17 Adam SieradzanMerge branch 'devel' of mmka:unres into devel
2015-04-17 Pawel KrupaFixed error caused by new MPICH2, which made WHAM-M...
2015-04-17 Adam Sieradzanpoprawka w COMMON.SBRIDE dla triss
2015-04-16 Pawel KrupaFixed energy differs in WHAM-M (EBE).
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