wham & cluster src_MD-M new HOMOL energy
[unres.git] / source /
2015-01-23 Adam LiwoCorrected refsys.f in src_MD-M
2015-01-22 Adam SieradzanMerge branch 'prerelease-3.2.1' of mmka:unres into...
2015-01-19 Adam Sieradzandzialajacy wham+poprawka w funckji energi+ poprawka...
2015-01-08 Cezary Czaplewskidfa.F was missing form cmake configurations files
2015-01-08 Cezary CzaplewskiMakefiles for mpich2 and some corrections to Makefiles
2015-01-05 Adam LiwoMerge branch 'prerelease-3.2.1' of mmka.chem.univ.gda...
2015-01-05 Adam LiwoAdded cinfo
2015-01-05 Adam LiwoMREMD corrected; Langevin mode (bcast instead of scatte...
2015-01-04 Adam Sieradzanpoprawka gradientu w CSA
2015-01-04 Adam SieradzanNaprawienie wham'a oraz wprowadzenie SCcorr do CSA
2014-12-30 Adam Sieradzanwprowadzenie do multichaina SCcorr
2014-12-19 Adam Sieradzandebug w poszukiwaniu bledu w ostatniej reszcie
2014-12-18 Adam Kazimierz Sie... dodanie czytania wagi wsccor do clustrowania-M
2014-12-18 Adam Kazimierz Sie... Wstawnieni SCCOR dla clustrowania. Nie wiadomo czy...
2014-12-18 Adam Kazimierz Sie... Wprowadzenie SCCOR dla wham-M
2014-12-18 Adam Kazimierz Sie... Rozgrzebany SCCOR dla wham-M
2014-12-17 Adam Kazimierz Sie... Poprawiony SCR_MD-M i dzialajacy
2014-12-17 Adam Kazimierz Sie... Wprowadznie potencjalow SC-COR do multichain oraz ich...
2014-12-11 Adam LiwoUpdated changelog, added minimization-only version...
2014-12-11 Adam LiwoCreated binaries and fixed bugs when compiling single...
2014-12-05 Cezary Czaplewskinew options for mpich2 with gfortran Makefile
2014-12-05 Cezary Czaplewskisrc_CSA_DiL removed from prerelease, current version...
2014-11-28 Cezary Czaplewskitesting 2D replica exchange with FPROCS>1
2014-11-28 Dawid Jagielachanged FF preprocesor flags in src_CSA_DiL/CMakeLists.txt
2014-11-28 Dawid Jagielafixed FF preprocesor flags for src_CSA/CMakeLists.txt
2014-11-28 Dawid Jagielachanged csa.f to csa.F in src_CSA/CMakeLists.txt sources
2014-11-28 Adam LiwoTrying to bring files - continued
2014-11-27 Adam LiwoFixed Makefiles, handle all force fields thru appropria...
2014-11-09 Cezary Czaplewskirestart is now working with HOMOL_NSET
2014-11-07 Cezary Czaplewskiuntrack *.exe in git
2014-11-07 Cezary Czaplewskisome corrections to 2D replica exchange with homology
2014-11-07 Cezary Czaplewski2D replica exchange with homology constraints
2014-11-05 Dawid Jagielactest ala10 binary location fix
2014-10-27 Dawid Jagiela1) binaries are compiled into /bin subdirectory of...
2014-10-26 Dawid Jagiela1) Threading cleanup in src_CSA & src_CSA_DiL
2014-10-26 Dawid Jagielaswitched to CMake FindMPI module in all source files...
2014-10-26 Dawid Jagielaadded missing preprocessor flags for prng_32.F
2014-10-25 Dawid Jagielaprng.f unification
2014-10-17 Felipe PinedaAdam's homology version of unres with new readpdb.F...
2014-10-16 Dawid Jagiela64-bit fix for unres/CSA and unres/CSA_DiL code
2014-10-14 Dawid JagiełaMerge branch 'prerelease-3.2.1' of mmka:unres into...
2014-10-14 Dawid Jagiełafixed CMake variable typo
2014-10-08 Cezary Czaplewskicorrect default option for compilers in cluster CmakeLi...
2014-10-08 Cezary Czaplewskicorrect default option for compilers in wham CmakeList.txt
2013-11-05 Adam SieradzanDebug part 1
2013-10-07 Adam Sieradzansmall correctian in wham
2013-09-02 Cezary CzaplewskiMerge branch 'prerelease-3.2.1' of mmka:unres into...
2013-09-02 Cezary Czaplewskidynamic disulfides in multichain
2013-08-31 Adam Kazimierz Sie... wylaczenie diagnostyki
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 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... Bugfix for SS wham and introduction SS to cluster analysis
2013-06-25 Adam Kazimierz Sie... Dodanie dynamic disulfide to WHAM
2013-05-07 Cezary Czaplewskisome corrections in xdrf2pdb-m for dyn_ss
2013-04-30 Cezary CzaplewskiMerge branch 'prerelease-3.2.1' of mmka:unres into...
2013-04-30 Cezary Czaplewskitesting ssbond in cx
2013-04-08 Cezary Czaplewskicorrect writing of dyn_ss for cx and x
2013-02-19 Cezary Czaplewskidyn_ss and other finegrain printout cleaning
2013-02-18 Cezary Czaplewskidynamic dissulfides with finegrain parallelization...
2013-02-18 Cezary CzaplewskiMerge branch 'prerelease-3.2.1' of mmka:unres into...
2013-02-18 Cezary Czaplewskidynamic dissulfides with finegrain parallelization
2013-02-18 Adam LiwoAdded refsys.f to src_CSA_DiL
2013-02-18 Adam Liworefsys deleted from readpdb.F in srd_CSA_DiL
2013-02-18 Adam LiwoAdded refsysy to Cmakelists
2013-02-18 Adam Liwo8/11/12 by Adam: fixed disulfide bridge problems
2013-02-18 Cezary Czaplewskicompilation only
2013-02-17 Adam LiwoFixed the addition of dummy chain ends to structures...
2013-02-17 Cezary Czaplewskidyn_ss writing pdb and ihpb cleaning
2013-02-16 Cezary Czaplewskimore type cleaning in DFA
2013-02-16 Cezary Czaplewskitype declaration in COMMON.DFA
2013-02-16 Cezary Czaplewskino type declaration in common
2013-02-16 Cezary Czaplewskino type declaration in common
2013-02-16 Cezary Czaplewskicommon sccor rename to avoid conflict with torsion
2013-02-16 Cezary Czaplewskiclassical Makefile cleaning
2013-02-16 Cezary Czaplewskirename common sccorin src_CSA
2013-02-16 Cezary Czaplewskisrc_MD-M compiles with old Makefile and common sccor...
2013-02-16 Cezary Czaplewskicommon name correction
2013-02-16 Cezary Czaplewskiprng and not prng_32 for gfortran
2013-02-16 Cezary Czaplewski prng and not prng_32 for f95
2013-02-16 Cezary Czaplewskinew SCCORPAR for ctest
2013-02-16 Cezary Czaplewskicommon reorder to avoid padding in gfortran
2013-02-15 Cezary Czaplewskidynamic disulfides are working again in md
2013-02-15 Cezary Czaplewskiadding ename to statout with PRINT_COMPON
2013-02-15 Cezary CzaplewskiMULTCONF is working now
2013-02-15 Cezary Czaplewskierror message when reading SCCOR corrected
2013-02-15 Cezary Czaplewskiss_dyn compiles with make and with cmake
2013-02-15 Cezary Czaplewskidynamic SS from old Maurizio's code
2013-02-14 Cezary Czaplewskicompilation only
2013-01-10 Dawid Jagielafixed missing closing bracket
2013-01-10 Dawid JagielaWHAM -DISNAN fix
2013-01-10 Dawid Jagielaadded UNRES_MD_FF setting for WHAM in (wham & cluster...
2012-12-19 Dawid Jagielapoprawki w COMMONAch
2012-11-23 Dawid Jagielagfortran fixes in local_move.f, energy_p_new.F & initia...
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