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wham & cluster src_MD-M new HOMOL energy
[unres.git] / source /
2015-01-23 Adam LiwoCorrected refsys.f in src_MD-M tree | commitdiff
2015-01-22 Adam SieradzanMerge branch 'prerelease-3.2.1' of mmka:unres into... tree | commitdiff
2015-01-19 Adam Sieradzandzialajacy wham+poprawka w funckji energi+ poprawka... tree | commitdiff
2015-01-08 Cezary Czaplewskidfa.F was missing form cmake configurations files tree | commitdiff
2015-01-08 Cezary CzaplewskiMakefiles for mpich2 and some corrections to Makefiles tree | commitdiff
2015-01-05 Adam LiwoMerge branch 'prerelease-3.2.1' of mmka.chem.univ.gda... tree | commitdiff
2015-01-05 Adam LiwoAdded cinfo tree | commitdiff
2015-01-05 Adam LiwoMREMD corrected; Langevin mode (bcast instead of scatte... tree | commitdiff
2015-01-04 Adam Sieradzanpoprawka gradientu w CSA tree | commitdiff
2015-01-04 Adam SieradzanNaprawienie wham'a oraz wprowadzenie SCcorr do CSA tree | commitdiff
2014-12-30 Adam Sieradzanwprowadzenie do multichaina SCcorr tree | commitdiff
2014-12-19 Adam Sieradzandebug w poszukiwaniu bledu w ostatniej reszcie tree | commitdiff
2014-12-18 Adam Kazimierz Sie... dodanie czytania wagi wsccor do clustrowania-M tree | commitdiff
2014-12-18 Adam Kazimierz Sie... Wstawnieni SCCOR dla clustrowania. Nie wiadomo czy... tree | commitdiff
2014-12-18 Adam Kazimierz Sie... Wprowadzenie SCCOR dla wham-M tree | commitdiff
2014-12-18 Adam Kazimierz Sie... Rozgrzebany SCCOR dla wham-M tree | commitdiff
2014-12-17 Adam Kazimierz Sie... Poprawiony SCR_MD-M i dzialajacy tree | commitdiff
2014-12-17 Adam Kazimierz Sie... Wprowadznie potencjalow SC-COR do multichain oraz ich... tree | commitdiff
2014-12-11 Adam LiwoUpdated changelog, added minimization-only version... tree | commitdiff
2014-12-11 Adam LiwoCreated binaries and fixed bugs when compiling single... tree | commitdiff
2014-12-05 Cezary Czaplewskinew options for mpich2 with gfortran Makefile tree | commitdiff
2014-12-05 Cezary Czaplewskisrc_CSA_DiL removed from prerelease, current version... tree | commitdiff
2014-11-28 Cezary Czaplewskitesting 2D replica exchange with FPROCS>1 tree | commitdiff
2014-11-28 Dawid Jagielachanged FF preprocesor flags in src_CSA_DiL/CMakeLists.txt tree | commitdiff
2014-11-28 Dawid Jagielafixed FF preprocesor flags for src_CSA/CMakeLists.txt tree | commitdiff
2014-11-28 Dawid Jagielachanged csa.f to csa.F in src_CSA/CMakeLists.txt sources tree | commitdiff
2014-11-28 Adam LiwoTrying to bring files - continued tree | commitdiff
2014-11-27 Adam LiwoFixed Makefiles, handle all force fields thru appropria... tree | commitdiff
2014-11-09 Cezary Czaplewskirestart is now working with HOMOL_NSET tree | commitdiff
2014-11-07 Cezary Czaplewskiuntrack *.exe in git tree | commitdiff
2014-11-07 Cezary Czaplewskisome corrections to 2D replica exchange with homology tree | commitdiff
2014-11-07 Cezary Czaplewski2D replica exchange with homology constraints tree | commitdiff
2014-11-05 Dawid Jagielactest ala10 binary location fix tree | commitdiff
2014-10-27 Dawid Jagiela1) binaries are compiled into /bin subdirectory of... tree | commitdiff
2014-10-26 Dawid Jagiela1) Threading cleanup in src_CSA & src_CSA_DiL tree | commitdiff
2014-10-26 Dawid Jagielaswitched to CMake FindMPI module in all source files... tree | commitdiff
2014-10-26 Dawid Jagielaadded missing preprocessor flags for prng_32.F tree | commitdiff
2014-10-25 Dawid Jagielaprng.f unification tree | commitdiff
2014-10-17 Felipe PinedaAdam's homology version of unres with new readpdb.F... tree | commitdiff
2014-10-16 Dawid Jagiela64-bit fix for unres/CSA and unres/CSA_DiL code tree | commitdiff
2014-10-14 Dawid JagiełaMerge branch 'prerelease-3.2.1' of mmka:unres into... tree | commitdiff
2014-10-14 Dawid Jagiełafixed CMake variable typo tree | commitdiff
2014-10-08 Cezary Czaplewskicorrect default option for compilers in cluster CmakeLi... tree | commitdiff
2014-10-08 Cezary Czaplewskicorrect default option for compilers in wham CmakeList.txt tree | commitdiff
2013-11-05 Adam SieradzanDebug part 1 tree | commitdiff
2013-10-07 Adam Sieradzansmall correctian in wham tree | commitdiff
2013-09-02 Cezary CzaplewskiMerge branch 'prerelease-3.2.1' of mmka:unres into... tree | commitdiff
2013-09-02 Cezary Czaplewskidynamic disulfides in multichain tree | commitdiff
2013-08-31 Adam Kazimierz Sie... wylaczenie diagnostyki tree | commitdiff
2013-08-31 Adam Kazimierz Sie... Merge branch 'prerelease-3.2.1' of mmka.chem.univ.gda... tree | commitdiff
2013-08-31 Adam Kazimierz Sie... zmiany w prereleasie drobne tree | commitdiff
2013-08-12 Adam Sieradzanchanges for DIMENSION for smaller size MEMory tree | commitdiff
2013-08-08 Adam SieradzanMerge branch 'prerelease-3.2.1' of mmka:unres into... tree | commitdiff
2013-08-07 Cezary Czaplewskidecrease of Max_Parm to 32 necessary for 4GB machine tree | commitdiff
2013-08-07 Adam Sieradzanmerge... tree | commitdiff
2013-08-07 Adam Sieradzanusuniecie diagnostyki tree | commitdiff
2013-07-25 Dawid Jagielafixed WHAM for gfortran: src/energy_p_new.F tree | commitdiff
2013-06-28 Adam Kazimierz Sie... Just few comments added to WHAM to clarify tree | commitdiff
2013-06-28 Adam Kazimierz Sie... Bugfix for SS wham and introduction SS to cluster analysis tree | commitdiff
2013-06-25 Adam Kazimierz Sie... Dodanie dynamic disulfide to WHAM tree | commitdiff
2013-05-07 Cezary Czaplewskisome corrections in xdrf2pdb-m for dyn_ss tree | commitdiff
2013-04-30 Cezary CzaplewskiMerge branch 'prerelease-3.2.1' of mmka:unres into... tree | commitdiff
2013-04-30 Cezary Czaplewskitesting ssbond in cx tree | commitdiff
2013-04-08 Cezary Czaplewskicorrect writing of dyn_ss for cx and x tree | commitdiff
2013-02-19 Cezary Czaplewskidyn_ss and other finegrain printout cleaning tree | commitdiff
2013-02-18 Cezary Czaplewskidynamic dissulfides with finegrain parallelization... tree | commitdiff
2013-02-18 Cezary CzaplewskiMerge branch 'prerelease-3.2.1' of mmka:unres into... tree | commitdiff
2013-02-18 Cezary Czaplewskidynamic dissulfides with finegrain parallelization tree | commitdiff
2013-02-18 Adam LiwoAdded refsys.f to src_CSA_DiL tree | commitdiff
2013-02-18 Adam Liworefsys deleted from readpdb.F in srd_CSA_DiL tree | commitdiff
2013-02-18 Adam LiwoAdded refsysy to Cmakelists tree | commitdiff
2013-02-18 Adam Liwo8/11/12 by Adam: fixed disulfide bridge problems tree | commitdiff
2013-02-18 Cezary Czaplewskicompilation only tree | commitdiff
2013-02-17 Adam LiwoFixed the addition of dummy chain ends to structures... tree | commitdiff
2013-02-17 Cezary Czaplewskidyn_ss writing pdb and ihpb cleaning tree | commitdiff
2013-02-16 Cezary Czaplewskimore type cleaning in DFA tree | commitdiff
2013-02-16 Cezary Czaplewskitype declaration in COMMON.DFA tree | commitdiff
2013-02-16 Cezary Czaplewskino type declaration in common tree | commitdiff
2013-02-16 Cezary Czaplewskino type declaration in common tree | commitdiff
2013-02-16 Cezary Czaplewskicommon sccor rename to avoid conflict with torsion tree | commitdiff
2013-02-16 Cezary Czaplewskiclassical Makefile cleaning tree | commitdiff
2013-02-16 Cezary Czaplewskirename common sccorin src_CSA tree | commitdiff
2013-02-16 Cezary Czaplewskisrc_MD-M compiles with old Makefile and common sccor... tree | commitdiff
2013-02-16 Cezary Czaplewskicommon name correction tree | commitdiff
2013-02-16 Cezary Czaplewskiprng and not prng_32 for gfortran tree | commitdiff
2013-02-16 Cezary Czaplewski prng and not prng_32 for f95 tree | commitdiff
2013-02-16 Cezary Czaplewskinew SCCORPAR for ctest tree | commitdiff
2013-02-16 Cezary Czaplewskicommon reorder to avoid padding in gfortran tree | commitdiff
2013-02-15 Cezary Czaplewskidynamic disulfides are working again in md tree | commitdiff
2013-02-15 Cezary Czaplewskiadding ename to statout with PRINT_COMPON tree | commitdiff
2013-02-15 Cezary CzaplewskiMULTCONF is working now tree | commitdiff
2013-02-15 Cezary Czaplewskierror message when reading SCCOR corrected tree | commitdiff
2013-02-15 Cezary Czaplewskiss_dyn compiles with make and with cmake tree | commitdiff
2013-02-15 Cezary Czaplewskidynamic SS from old Maurizio's code tree | commitdiff
2013-02-14 Cezary Czaplewskicompilation only tree | commitdiff
2013-01-10 Dawid Jagielafixed missing closing bracket tree | commitdiff
2013-01-10 Dawid JagielaWHAM -DISNAN fix tree | commitdiff
2013-01-10 Dawid Jagielaadded UNRES_MD_FF setting for WHAM in (wham & cluster... tree | commitdiff
2012-12-19 Dawid Jagielapoprawki w COMMONAch tree | commitdiff
2012-11-23 Dawid Jagielagfortran fixes in local_move.f, energy_p_new.F & initia... tree | commitdiff
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