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wham and cluster_wham Adam's new constr_dist multichain
[unres.git] / source / unres / src_MD-M /
2018-06-22 Cezary Czaplewskirlornmr1 tree | commitdiff
2018-06-22 Cezary CzaplewskiAdam's new constr_dist tree | commitdiff
2018-05-16 Cezary Czaplewskiunres src_MD-M now HOMOL energy tree | commitdiff
2018-04-17 Cezary Czaplewskirescore=0.2 rescore2=1.0 mdpdb append tree | commitdiff
2018-01-31 Cezary Czaplewskimultichain geomout corrected tree | commitdiff
2018-01-27 Cezary Czaplewskiwsaxs0 and map tree | commitdiff
2018-01-08 Cezary CzaplewskiSAXS cutoff saxs_cutoff.eq.0 tree | commitdiff
2018-01-03 Cezary CzaplewskiSAXS cutoff correct gradiend and cutoff scaling tree | commitdiff
2018-01-02 Cezary CzaplewskiSAXS cutoff correction tree | commitdiff
2018-01-02 Cezary CzaplewskiSAXS cutoff correction tree | commitdiff
2018-01-02 Cezary CzaplewskiSAXS cutoff tree | commitdiff
2017-12-21 Cezary Czaplewskisaxs SCAL_RAD input parameter tree | commitdiff
2017-12-17 Cezary Czaplewskisaxs and adam's corrections to multichain tree | commitdiff
2017-09-28 Cezary Czaplewskigfortran error tree | commitdiff
2017-09-28 Cezary Czaplewskigfortran error tree | commitdiff
2017-09-25 Cezary Czaplewskidimensions tree | commitdiff
2017-08-26 Cezary Czaplewskifiles for opt-wtfsa-2 and chainbuild_ext tree | commitdiff
2017-08-25 Cezary Czaplewskiremd random start loop until low ene tree | commitdiff
2017-08-12 Cezary Czaplewskimultichain cleaning output tree | commitdiff
2017-08-12 Cezary Czaplewskiunres multichain extconf MD chainbuild tree | commitdiff
2017-03-21 Cezary Czaplewskicompiler directive UNROLL(0) in eturn3 tree | commitdiff
2017-03-10 Cezary Czaplewskicorrect gradient on cray okeanos tree | commitdiff
2017-03-10 Cezary CzaplewskiAdasko D-aminoacid correction tree | commitdiff
2017-03-09 Cezary Czaplewskictest src_MD-M ref ene and missing files tree | commitdiff
2017-03-04 Cezary Czaplewskictest ene multichain tree | commitdiff
2017-03-03 Cezary Czaplewskictest too large output from some tests tree | commitdiff
2017-03-03 Cezary Czaplewskictest multichain tree | commitdiff
2017-02-22 Cezary Czaplewskihomology dihederal i-3 gradient correction tree | commitdiff
2017-02-22 Cezary Czaplewskifix checkgrad usampl conflict with homology tree | commitdiff
2017-02-22 Cezary Czaplewskicorrections to numerical and sccor analytical gradient tree | commitdiff
2017-02-16 Cezary Czaplewskienergy of unres src_MD-M match prerelease tree | commitdiff
2016-07-04 Cezary Czaplewskimultichain debug print removed (no fort.2 file) tree | commitdiff
2016-07-04 Cezary Czaplewskimultichain maxres=1000 tree | commitdiff
2016-06-19 Cezary Czaplewskicorrection for idihconstr_end_homo, no differ in wham now tree | commitdiff
2016-06-14 Cezary Czaplewskimultichain wham and cluster_wham use readpdb_template tree | commitdiff
2016-06-11 Cezary Czaplewskicorrection to the last commit - cleaning of homo restraints tree | commitdiff
2016-06-10 Cezary Czaplewskimultichain wham ignores conf. energies>10E6 and speed... tree | commitdiff
2016-06-08 Cezary Czaplewskiunres src_MD max_template=25 tree | commitdiff
2016-05-19 Cezary Czaplewskiminim and preminim in cart for large proteins tree | commitdiff
2016-05-19 Cezary Czaplewskistart_from_models working with multichain tree | commitdiff
2016-05-19 Cezary Czaplewskicorrection of dihedral homology restraints phi(i+3) tree | commitdiff
2016-05-10 Cezary Czaplewskiupdates from src_MD to src_MD-M for unres tree | commitdiff
2016-04-29 Cezary Czaplewskictest -DUNRES_MPIRUN=1 for tryton tree | commitdiff
2016-04-28 Cezary Czaplewskictest for src-M are off tree | commitdiff
2016-04-27 Cezary Czaplewskictest copied from prerelease tree | commitdiff
2016-01-28 Cezary Czaplewski all CMakeLists.txt updated with corrected names and... tree | commitdiff
2015-11-30 Cezary CzaplewskiEhomology printout with PRINT_COMPON tree | commitdiff
2015-11-30 Cezary Czaplewskitimlim function ovrtim only on master and MPI_Bcast tree | commitdiff
2015-11-22 Cezary CzaplewskiCONSTR_HOMOL in mutlichain, debug and output cleaning tree | commitdiff
2015-10-26 Cezary CzaplewskiENERGY_DEC printout works for ebend in E0LL2Y forcefield tree | commitdiff
2015-10-23 Cezary Czaplewskipreminim in multichain code tree | commitdiff
2015-10-20 Cezary Czaplewskichanges to avoid problems with MPI_Scatterv in mpich2... tree | commitdiff
2015-10-20 Cezary CzaplewskiAdasko's changes to ebend tree | commitdiff
2015-10-08 Cezary Czaplewskienergy_dec works with etors_d tree | commitdiff
2015-10-06 Cezary Czaplewskiunres src_MD-M from branch Multichain tree | commitdiff
2015-05-07 Cezary Czaplewskicmake compilation for cluster and wham repaired tree | commitdiff
2015-02-16 Adam SieradzanPoprawiony src_MD-M gradient tree | commitdiff
2015-01-24 Adam LiwoCorrected refsys.f in src_MD-M tree | commitdiff
2015-01-23 Adam Liworefsys tree | commitdiff
2015-01-23 Adam LiwoMerge branch 'prerelease-3.2.1' of mmka.chem.univ.gda... tree | commitdiff
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 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 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... Wprowadzenie 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 LiwoCreated binaries and fixed bugs when compiling single... 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
2014-10-27 Dawid Jagiela1) binaries are compiled into /bin subdirectory of... 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
2014-10-14 Dawid Jagiełafixed CMake variable typo tree | commitdiff
2013-09-02 Cezary Czaplewskidynamic disulfides in multichain tree | commitdiff
2013-02-18 Adam Liwo8/11/12 by Adam: fixed disulfide bridge problems tree | commitdiff
2013-02-17 Adam LiwoFixed the addition of dummy chain ends to structures... tree | commitdiff
2013-02-16 Cezary Czaplewskino type declaration in common tree | commitdiff
2013-02-16 Cezary Czaplewskisrc_MD-M compiles with old Makefile and common sccor... tree | commitdiff
2013-02-14 Cezary Czaplewskicompilation only tree | commitdiff
2012-11-23 Dawid Jagielagfortran fixes in local_move.f, energy_p_new.F & initia... tree | commitdiff
2012-11-23 Dawid Jagielagfortran foxes in src_CSA/energy_p_new_barrier.F, src_C... tree | commitdiff
2012-11-23 Dawid Jagielagfortran fixes for src_MD-M tree | commitdiff
2012-11-23 Dawid Jagielafix 80 column in initialize_p.F tree | commitdiff
2012-11-23 Dawid Jagielagfortran fixes in initialize_p.F for src_MD-M tree | commitdiff
2012-11-23 Dawid Jagielaalignment fixes in COMMON.CHAIN for src_MD-M tree | commitdiff
2012-11-23 Dawid Jagielaforce legacy standard for gfortran tree | commitdiff
2012-10-31 Dawid JagielaCMake makro cinfo.f fix tree | commitdiff
2012-10-17 Adam Kazimierz Sie... Poprawka w Cmakelist tree | commitdiff
2012-08-20 Dawid Jagiela1. cmake cinfo.f generation for all sources 2. deleted... tree | commitdiff
2012-07-19 Dawid Jagielacinfo.f generation and macro for unres MD tree | commitdiff
2012-06-18 Adam LiwoMerge branch 'devel' of mmka.chem.univ.gda.pl:unres... tree | commitdiff
2012-06-14 Adam Liwo6/14/2012 by Adam tree | commitdiff
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UNRESPACK 3.x