rm exe
[unres.git] / source / wham /
2015-11-28 Adam LiwoRemoved unnecessart code from WHAM ssMD
2015-11-27 Adam Liwofixed readrtns as per Adasko's changes in the FM branch...
2015-10-31 Adam LiwoMerge branch 'lipid' of mmka.chem.univ.gda.pl:unres...
2015-10-31 Adam LiwoAdded directory analysis to compute teperature-averaged...
2015-10-21 Adam Sieradzancorrections in wham and clust
2015-10-15 Adam Sieradzansmall fix for Gly as 1st residue and in dynamic disulfides
2015-09-29 Adam SieradzanMerge branch 'lipid' into AFM
2015-09-29 Adam SieradzanESSENTIAL CHANGE - BUG FIX in ENERGY to have old Correl...
2015-09-29 Adam Sieradzanwham in lipid still diff
2015-08-06 Adam SieradzanMerge branch 'devel' into AFM
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
2015-05-25 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 SieradzanAdding dyn_ss and triss potentials to src-M wham
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 Pawel KrupaFixed error caused by new MPICH2, which made WHAM-M...
2015-04-16 Pawel KrupaFixed energy differs in WHAM-M (EBE).
2015-04-05 Dawid Jagielaadded Force-Fields descriptions in exe filenames
2014-12-17 Adam SieradzanMerge branch 'master' of mmka:unres
2014-12-17 Adam SieradzanMerge branch 'master' of mmka:unres into multichain
2014-11-28 Adam LiwoTrying to bring files - continued
2014-11-27 Adam LiwoFixed Makefiles, handle all force fields thru appropria...
2014-11-05 Dawid JagielaMerge branch 'prerelease-3.2.1' into devel
2014-10-27 Dawid Jagiela1) binaries are compiled into /bin subdirectory of...
2014-10-26 Dawid Jagielaswitched to CMake FindMPI module in all source files...
2014-10-26 Dawid Jagielaswitched to CMake FindMPI module in all source files...
2014-10-08 Cezary Czaplewskicorrect default option for compilers in wham CmakeList.txt
2014-09-11 Adam Kazimierz Sie... poprawka w triss
2014-06-10 Adam SieradzanIntroduction of PBC to cluster energy and reading,...
2014-05-25 Adam Kazimierz Sie... zmiany, wylaczenie diagnostyki, dzialajacy WHAM
2014-05-21 Adam Kazimierz Sie... diagnoza dlaczego WHAM nie dziala
2014-05-15 Adam Kazimierz Sie... zmiany w WHAM PBC przed sprawdzeniem differow
2014-04-10 Adam LiwoMerge branch 'devel' of mmka.chem.univ.gda.pl:unres...
2014-04-10 Adam LiwoAdded source/wham/src-NEWSC-NEWCORR/
2014-04-10 Adam LiwoAdded src_MD-M-newcorr (Adasko's source) and src-NEWSC...
2014-04-01 Adam LiwoAdded src_Eshel (decoy processing for threading)
2013-11-06 Dawid JagielaMerge branch 'devel' of mmka:unres into devel
2013-11-06 Dawid Jagielajunk files cleanup
2013-11-05 Adam SieradzanBugfix for smaller size of memory
2013-11-05 Adam SieradzanDebug part 11
2013-11-05 Adam SieradzanDebug part 10
2013-11-05 Adam SieradzanDebug part 9
2013-11-05 Adam SieradzanDebug part 8
2013-11-05 Adam SieradzanDebug part 7
2013-11-05 Adam SieradzanDebug part 2
2013-11-05 Adam Sieradzanpierwsza proba merga devela do adasko
2013-11-05 Adam SieradzanDostosowanie w src whama i clustra
2013-08-31 Adam Kazimierz Sie... Merge branch 'prerelease-3.2.1' of mmka.chem.univ.gda...
2013-08-31 Adam Kazimierz Sie... zmiany w prereleasie drobne
2013-08-12 Adam Sieradzanchanges for DIMENSION for smaller size MEMory
2013-08-08 Adam SieradzanMerge branch 'prerelease-3.2.1' of mmka:unres into...
2013-08-07 Cezary Czaplewskidecrease of Max_Parm to 32 necessary for 4GB machine
2013-08-07 Adam Sieradzanmerge...
2013-08-07 Adam Sieradzanusuniecie diagnostyki
2013-07-25 Dawid JagielaMerge branch 'prerelease-3.2.1' into devel
2013-07-25 Dawid JagielaMerge branch 'prerelease-3.2.1' into devel
2013-07-25 Dawid Jagielafixed WHAM for gfortran: src/energy_p_new.F
2013-07-25 Dawid Jagielafixed WHAM for gfortran: src/energy_p_new.F
2013-06-28 Adam Kazimierz Sie... Just few comments added to WHAM to clarify
2013-06-28 Adam Kazimierz Sie... Just few comments added to WHAM to clarify
2013-06-28 Adam Kazimierz Sie... Bugfix for SS wham and introduction SS to cluster analysis
2013-06-28 Adam Kazimierz Sie... Bugfix for SS wham and introduction SS to cluster analysis
2013-06-25 Adam Kazimierz Sie... Dodanie dynamic disulfide to WHAM
2013-06-25 Adam Kazimierz Sie... Dodanie dynamic disulfide to WHAM
2013-04-12 Dawid Jagielaadded default preprocessor flags for unknown compilers
2013-04-12 Dawid Jagielaadded default preprocessor flags for unknown compilers
2013-02-17 Adam LiwoFixed the addition of dummy chain ends to structures...
2013-02-17 Adam LiwoFixed the addition of dummy chain ends to structures...
2013-02-17 Adam LiwoFixed the addition of dummy chain ends to structures...
2013-02-17 Adam LiwoFixed the addition of dummy chain ends to structures...
2013-02-16 Cezary Czaplewskicommon sccor rename to avoid conflict with torsion
2013-02-16 Cezary Czaplewskicommon sccor rename to avoid conflict with torsion
2013-01-10 Dawid Jagielafixed missing closing bracket
2013-01-10 Dawid Jagielafixed missing closing bracket
2013-01-10 Dawid JagielaWHAM -DISNAN fix
2013-01-10 Dawid JagielaWHAM -DISNAN fix
2013-01-10 Dawid Jagielaadded UNRES_MD_FF setting for WHAM in (wham & cluster...
2013-01-10 Dawid Jagielaadded UNRES_MD_FF setting for WHAM in (wham & cluster...
2013-01-06 Adam SieradzanWprowadzenie do Clustrowania D-aminokwasow w polu Yi
2012-12-18 Adam SieradzanUsuniecie diagnostyki
2012-12-10 Adam Sieradzanzmiana w COMMONIE
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