wham and cluster_wham Adam's new constr_dist multichain
[unres.git] / source / unres / src_MD-M /
2018-06-22 Cezary Czaplewskirlornmr1
2018-06-22 Cezary CzaplewskiAdam's new constr_dist
2018-05-16 Cezary Czaplewskiunres src_MD-M now HOMOL energy
2018-04-17 Cezary Czaplewskirescore=0.2 rescore2=1.0 mdpdb append
2018-01-31 Cezary Czaplewskimultichain geomout corrected
2018-01-27 Cezary Czaplewskiwsaxs0 and map
2018-01-08 Cezary CzaplewskiSAXS cutoff saxs_cutoff.eq.0
2018-01-03 Cezary CzaplewskiSAXS cutoff correct gradiend and cutoff scaling
2018-01-02 Cezary CzaplewskiSAXS cutoff correction
2018-01-02 Cezary CzaplewskiSAXS cutoff correction
2018-01-02 Cezary CzaplewskiSAXS cutoff
2017-12-21 Cezary Czaplewskisaxs SCAL_RAD input parameter
2017-12-17 Cezary Czaplewskisaxs and adam's corrections to multichain
2017-09-28 Cezary Czaplewskigfortran error
2017-09-28 Cezary Czaplewskigfortran error
2017-09-25 Cezary Czaplewskidimensions
2017-08-26 Cezary Czaplewskifiles for opt-wtfsa-2 and chainbuild_ext
2017-08-25 Cezary Czaplewskiremd random start loop until low ene
2017-08-12 Cezary Czaplewskimultichain cleaning output
2017-08-12 Cezary Czaplewskiunres multichain extconf MD chainbuild
2017-03-21 Cezary Czaplewskicompiler directive UNROLL(0) in eturn3
2017-03-10 Cezary Czaplewskicorrect gradient on cray okeanos
2017-03-10 Cezary CzaplewskiAdasko D-aminoacid correction
2017-03-09 Cezary Czaplewskictest src_MD-M ref ene and missing files
2017-03-04 Cezary Czaplewskictest ene multichain
2017-03-03 Cezary Czaplewskictest too large output from some tests
2017-03-03 Cezary Czaplewskictest multichain
2017-02-22 Cezary Czaplewskihomology dihederal i-3 gradient correction
2017-02-22 Cezary Czaplewskifix checkgrad usampl conflict with homology
2017-02-22 Cezary Czaplewskicorrections to numerical and sccor analytical gradient
2017-02-16 Cezary Czaplewskienergy of unres src_MD-M match prerelease
2016-07-04 Cezary Czaplewskimultichain debug print removed (no fort.2 file)
2016-07-04 Cezary Czaplewskimultichain maxres=1000
2016-06-19 Cezary Czaplewskicorrection for idihconstr_end_homo, no differ in wham now
2016-06-14 Cezary Czaplewskimultichain wham and cluster_wham use readpdb_template
2016-06-11 Cezary Czaplewskicorrection to the last commit - cleaning of homo restraints
2016-06-10 Cezary Czaplewskimultichain wham ignores conf. energies>10E6 and speed...
2016-06-08 Cezary Czaplewskiunres src_MD max_template=25
2016-05-19 Cezary Czaplewskiminim and preminim in cart for large proteins
2016-05-19 Cezary Czaplewskistart_from_models working with multichain
2016-05-19 Cezary Czaplewskicorrection of dihedral homology restraints phi(i+3)
2016-05-10 Cezary Czaplewskiupdates from src_MD to src_MD-M for unres
2016-04-29 Cezary Czaplewskictest -DUNRES_MPIRUN=1 for tryton
2016-04-28 Cezary Czaplewskictest for src-M are off
2016-04-27 Cezary Czaplewskictest copied from prerelease
2016-01-28 Cezary Czaplewski all CMakeLists.txt updated with corrected names and...
2015-11-30 Cezary CzaplewskiEhomology printout with PRINT_COMPON
2015-11-30 Cezary Czaplewskitimlim function ovrtim only on master and MPI_Bcast
2015-11-22 Cezary CzaplewskiCONSTR_HOMOL in mutlichain, debug and output cleaning
2015-10-26 Cezary CzaplewskiENERGY_DEC printout works for ebend in E0LL2Y forcefield
2015-10-23 Cezary Czaplewskipreminim in multichain code
2015-10-20 Cezary Czaplewskichanges to avoid problems with MPI_Scatterv in mpich2...
2015-10-20 Cezary CzaplewskiAdasko's changes to ebend
2015-10-08 Cezary Czaplewskienergy_dec works with etors_d
2015-10-06 Cezary Czaplewskiunres src_MD-M from branch Multichain
2015-05-07 Cezary Czaplewskicmake compilation for cluster and wham repaired
2015-02-16 Adam SieradzanPoprawiony src_MD-M gradient
2015-01-24 Adam LiwoCorrected refsys.f in src_MD-M
2015-01-23 Adam Liworefsys
2015-01-23 Adam LiwoMerge branch 'prerelease-3.2.1' of mmka.chem.univ.gda...
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 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 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... Wprowadzenie 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 LiwoCreated binaries and fixed bugs when compiling single...
2014-11-28 Adam LiwoTrying to bring files - continued
2014-11-27 Adam LiwoFixed Makefiles, handle all force fields thru appropria...
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 Jagielaadded missing preprocessor flags for prng_32.F
2014-10-25 Dawid Jagielaprng.f unification
2014-10-14 Dawid Jagiełafixed CMake variable typo
2013-09-02 Cezary Czaplewskidynamic disulfides in multichain
2013-02-18 Adam Liwo8/11/12 by Adam: fixed disulfide bridge problems
2013-02-17 Adam LiwoFixed the addition of dummy chain ends to structures...
2013-02-16 Cezary Czaplewskino type declaration in common
2013-02-16 Cezary Czaplewskisrc_MD-M compiles with old Makefile and common sccor...
2013-02-14 Cezary Czaplewskicompilation only
2012-11-23 Dawid Jagielagfortran fixes in local_move.f, energy_p_new.F & initia...
2012-11-23 Dawid Jagielagfortran foxes in src_CSA/energy_p_new_barrier.F, src_C...
2012-11-23 Dawid Jagielagfortran fixes for src_MD-M
2012-11-23 Dawid Jagielafix 80 column in initialize_p.F
2012-11-23 Dawid Jagielagfortran fixes in initialize_p.F for src_MD-M
2012-11-23 Dawid Jagielaalignment fixes in COMMON.CHAIN for src_MD-M
2012-11-23 Dawid Jagielaforce legacy standard for gfortran
2012-10-31 Dawid JagielaCMake makro cinfo.f fix
2012-10-17 Adam Kazimierz Sie... Poprawka w Cmakelist
2012-08-20 Dawid Jagiela1. cmake cinfo.f generation for all sources 2. deleted...
2012-07-19 Dawid Jagielacinfo.f generation and macro for unres MD
2012-06-18 Adam LiwoMerge branch 'devel' of mmka.chem.univ.gda.pl:unres...
2012-06-14 Adam Liwo6/14/2012 by Adam
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