mmka.chem.univ.gda.pl Git - unres.git/shortlog

2013-08-23	Dawid Jagiela	Fix to use native system xdr headers	commit \| commitdiff \| tree \| snapshot
2013-07-25	Dawid Jagiela	test name changed for unres MD DFA version	commit \| commitdiff \| tree \| snapshot
2013-07-25	Dawid Jagiela	Merge branch 'prerelease-3.2.1' into devel	commit \| commitdiff \| tree \| snapshot
2013-07-25	Dawid Jagiela	fixed WHAM for gfortran: src/energy_p_new.F	commit \| commitdiff \| tree \| snapshot
2013-06-28	Adam Kazimierz...	Just few comments added to WHAM to clarify	commit \| commitdiff \| tree \| snapshot
2013-06-28	Adam Kazimierz...	Bugfix for SS wham and introduction SS to cluster analysis	commit \| commitdiff \| tree \| snapshot
2013-06-25	Adam Kazimierz...	Dodanie dynamic disulfide to WHAM	commit \| commitdiff \| tree \| snapshot
2013-05-07	Cezary Czaplewski	some corrections in xdrf2pdb-m for dyn_ss	commit \| commitdiff \| tree \| snapshot
2013-04-30	Cezary Czaplewski	Merge branch 'prerelease-3.2.1' of mmka:unres into...	commit \| commitdiff \| tree \| snapshot
2013-04-30	Cezary Czaplewski	testing ssbond in cx	commit \| commitdiff \| tree \| snapshot
2013-04-18	Dawid Jagiela	restructured examples	commit \| commitdiff \| tree \| snapshot
2013-04-15	Dawid Jagiela	changed SCCORPAR to shelly potentials in GAB & 12LY...	commit \| commitdiff \| tree \| snapshot
2013-04-12	Dawid Jagiela	added default preprocessor flags for unknown compilers	commit \| commitdiff \| tree \| snapshot
2013-04-11	Dawid Jagiela	added REMD/MREMD input generation in UNRESInpGen.py	commit \| commitdiff \| tree \| snapshot
2013-04-08	Cezary Czaplewski	correct writing of dyn_ss for cx and x	commit \| commitdiff \| tree \| snapshot
2013-03-07	Dawid Jagiela	added OVERLAP and NOSEARCHSC options in UNRESInpGen.py	commit \| commitdiff \| tree \| snapshot
2013-03-06	Dawid Jagiela	Added minimazation support to UNRESInpGen.py	commit \| commitdiff \| tree \| snapshot
2013-03-05	Dawid Jagiela	added glicyne support in show_UNRES.py	commit \| commitdiff \| tree \| snapshot
2013-02-28	Dawid Jagiela	Merge branch 'devel' of mmka:unres into devel	commit \| commitdiff \| tree \| snapshot
2013-02-28	Dawid Jagiela	fixed ray-tracing bug and size of ellipoids in show_UNR...	commit \| commitdiff \| tree \| snapshot
2013-02-19	Cezary Czaplewski	cleaning of gfortran warnings in src_MD_DFA	commit \| commitdiff \| tree \| snapshot
2013-02-19	Cezary Czaplewski	cleaning of gfortran warnings	commit \| commitdiff \| tree \| snapshot
2013-02-19	Cezary Czaplewski	copy DFA cleaning of types from CSA to MD	commit \| commitdiff \| tree \| snapshot
2013-02-19	Cezary Czaplewski	repairs error in merge	commit \| commitdiff \| tree \| snapshot
2013-02-19	Cezary Czaplewski	Merge branch 'prerelease-3.2.1' into devel	commit \| commitdiff \| tree \| snapshot
2013-02-19	Cezary Czaplewski	dyn_ss and other finegrain printout cleaning	commit \| commitdiff \| tree \| snapshot
2013-02-18	Cezary Czaplewski	dynamic dissulfides with finegrain parallelization...	commit \| commitdiff \| tree \| snapshot
2013-02-18	Cezary Czaplewski	Merge branch 'prerelease-3.2.1' of mmka:unres into...	commit \| commitdiff \| tree \| snapshot
2013-02-18	Cezary Czaplewski	dynamic dissulfides with finegrain parallelization	commit \| commitdiff \| tree \| snapshot
2013-02-18	Adam Liwo	Added refsys.f to src_CSA_DiL	commit \| commitdiff \| tree \| snapshot
2013-02-18	Adam Liwo	Added refsys,f	commit \| commitdiff \| tree \| snapshot
2013-02-18	Adam Liwo	refsys deleted from readpdb.F in srd_CSA_DiL	commit \| commitdiff \| tree \| snapshot
2013-02-18	Adam Liwo	refsys separated from readpdb in src_CDA_DiL	commit \| commitdiff \| tree \| snapshot
2013-02-18	Adam Liwo	Added refsysy to Cmakelists	commit \| commitdiff \| tree \| snapshot
2013-02-18	Adam Liwo	8/11/12 by Adam: fixed disulfide bridge problems	commit \| commitdiff \| tree \| snapshot
2013-02-18	Cezary Czaplewski	compilation only	commit \| commitdiff \| tree \| snapshot
2013-02-17	Adam Liwo	Fixed addition of dummy residues for input UNRES pdb...	commit \| commitdiff \| tree \| snapshot
2013-02-17	Adam Liwo	added files deleted by merge with devel	commit \| commitdiff \| tree \| snapshot
2013-02-17	Adam Liwo	added files deleted by merge with devel	commit \| commitdiff \| tree \| snapshot
2013-02-17	Adam Liwo	Fixed the addition of dummy chain ends to structures...	commit \| commitdiff \| tree \| snapshot
2013-02-17	Adam Liwo	Merge branch 'devel' of mmka.chem.univ.gda.pl:unres...	commit \| commitdiff \| tree \| snapshot
2013-02-17	Adam Liwo	Fixed the addition of dummy chain ends to structures...	commit \| commitdiff \| tree \| snapshot
2013-02-17	Cezary Czaplewski	dyn_ss writing pdb and ihpb cleaning	commit \| commitdiff \| tree \| snapshot
2013-02-16	Cezary Czaplewski	more type cleaning in DFA	commit \| commitdiff \| tree \| snapshot
2013-02-16	Cezary Czaplewski	type declaration in COMMON.DFA	commit \| commitdiff \| tree \| snapshot
2013-02-16	Cezary Czaplewski	no type declaration in common	commit \| commitdiff \| tree \| snapshot
2013-02-16	Cezary Czaplewski	no type declaration in common	commit \| commitdiff \| tree \| snapshot
2013-02-16	Cezary Czaplewski	common sccor rename to avoid conflict with torsion	commit \| commitdiff \| tree \| snapshot
2013-02-16	Cezary Czaplewski	classical Makefile cleaning	commit \| commitdiff \| tree \| snapshot
2013-02-16	Cezary Czaplewski	rename common sccorin src_CSA	commit \| commitdiff \| tree \| snapshot
2013-02-16	Cezary Czaplewski	src_MD-M compiles with old Makefile and common sccor...	commit \| commitdiff \| tree \| snapshot
2013-02-16	Cezary Czaplewski	common name correction	commit \| commitdiff \| tree \| snapshot
2013-02-16	Cezary Czaplewski	prng and not prng_32 for gfortran	commit \| commitdiff \| tree \| snapshot
2013-02-16	Cezary Czaplewski	prng and not prng_32 for f95	commit \| commitdiff \| tree \| snapshot
2013-02-16	Cezary Czaplewski	new SCCORPAR for ctest	commit \| commitdiff \| tree \| snapshot
2013-02-16	Cezary Czaplewski	common reorder to avoid padding in gfortran	commit \| commitdiff \| tree \| snapshot
2013-02-16	Cezary Czaplewski	small changes to compile in gfortran	commit \| commitdiff \| tree \| snapshot
2013-02-15	Cezary Czaplewski	dynamic disulfides are working again in md	commit \| commitdiff \| tree \| snapshot
2013-02-15	Cezary Czaplewski	adding ename to statout with PRINT_COMPON	commit \| commitdiff \| tree \| snapshot
2013-02-15	Cezary Czaplewski	MULTCONF is working now	commit \| commitdiff \| tree \| snapshot
2013-02-15	Cezary Czaplewski	error message when reading SCCOR corrected	commit \| commitdiff \| tree \| snapshot
2013-02-15	Cezary Czaplewski	ss_dyn compiles with make and with cmake	commit \| commitdiff \| tree \| snapshot
2013-02-15	Cezary Czaplewski	dynamic SS from old Maurizio's code	commit \| commitdiff \| tree \| snapshot
2013-02-14	Cezary Czaplewski	compilation only	commit \| commitdiff \| tree \| snapshot
2013-02-10	Dawid Jagiela	added UNRES visualization plugin for PyMOL	commit \| commitdiff \| tree \| snapshot
2013-02-07	Bartlomiej...	kosmetyczne zmiany do MD_DFA	commit \| commitdiff \| tree \| snapshot
2013-02-06	Bartlomiej...	Merge branch 'devel' of mmka:unres into devel	commit \| commitdiff \| tree \| snapshot
2013-02-06	Bartlomiej...	Files to working MD_DFA	commit \| commitdiff \| tree \| snapshot
2013-02-06	Bartlomiej...	Working MD_DFA	commit \| commitdiff \| tree \| snapshot
2013-02-06	Dawid Jagiela	added pymol/UNRESInpGen.py - generates inputs for MD	commit \| commitdiff \| tree \| snapshot
2013-01-10	Dawid Jagiela	fixed missing closing bracket	commit \| commitdiff \| tree \| snapshot
2013-01-10	Dawid Jagiela	WHAM -DISNAN fix	commit \| commitdiff \| tree \| snapshot
2013-01-10	Dawid Jagiela	added UNRES_MD_FF setting for WHAM in (wham & cluster...	commit \| commitdiff \| tree \| snapshot
2012-12-19	Dawid Jagiela	Merge branch 'prerelease-3.2.1' of mmka:unres into...	commit \| commitdiff \| tree \| snapshot
2012-12-19	Dawid Jagiela	poprawki w COMMONAch	commit \| commitdiff \| tree \| snapshot
2012-12-04	Pawel Krupa	New examples based on current version of UNRES.	commit \| commitdiff \| tree \| snapshot
2012-11-23	Dawid Jagiela	gfortran fixes in local_move.f, energy_p_new.F & initia...	commit \| commitdiff \| tree \| snapshot
2012-11-23	Dawid Jagiela	gfortran foxes in src_CSA/energy_p_new_barrier.F, src_C...	commit \| commitdiff \| tree \| snapshot
2012-11-23	Dawid Jagiela	fixed typos in initialize_p.F	commit \| commitdiff \| tree \| snapshot
2012-11-23	Dawid Jagiela	gfortran fixes in src_CSA for initialize_p.F	commit \| commitdiff \| tree \| snapshot
2012-11-23	Dawid Jagiela	gfortran fixes for src_MD-M	commit \| commitdiff \| tree \| snapshot
2012-11-23	Dawid Jagiela	fix 80 column in initialize_p.F	commit \| commitdiff \| tree \| snapshot
2012-11-23	Dawid Jagiela	gfortran fixes in initialize_p.F for src_MD-M	commit \| commitdiff \| tree \| snapshot
2012-11-23	Dawid Jagiela	alignment fixes in COMMON.CHAIN for src_MD-M	commit \| commitdiff \| tree \| snapshot
2012-11-23	Dawid Jagiela	alignment fixes in COMMON.CHAIN for src_MD-M	commit \| commitdiff \| tree \| snapshot
2012-11-23	Dawid Jagiela	gfortran fixes in initialize_p.F for MPI	commit \| commitdiff \| tree \| snapshot
2012-11-23	Dawid Jagiela	some gfortran warning fixes	commit \| commitdiff \| tree \| snapshot
2012-11-23	Dawid Jagiela	some gfortran warning fixes	commit \| commitdiff \| tree \| snapshot
2012-11-23	Dawid Jagiela	force legacy standard for gfortran	commit \| commitdiff \| tree \| snapshot
2012-11-23	Dawid Jagiela	gfortran legacy standard enforcement	commit \| commitdiff \| tree \| snapshot
2012-11-08	Adam Liwo	Merge branch 'devel' of mmka.chem.univ.gda.pl:unres...	commit \| commitdiff \| tree \| snapshot
2012-11-08	Adam Liwo	8/11/12 by Adam: fixed disulfide bridge problems	commit \| commitdiff \| tree \| snapshot
2012-11-07	Dawid Jagiela	force legacy standard for gfortran	commit \| commitdiff \| tree \| snapshot
2012-11-07	Dawid Jagiela	gfortran legacy standard enforcement	commit \| commitdiff \| tree \| snapshot
2012-11-05	Dawid Jagiela	alignment fix in src_MD COMMON.SCCOR	commit \| commitdiff \| tree \| snapshot
2012-11-05	Dawid Jagiela	alignment fixes in src_MD COMMONs	commit \| commitdiff \| tree \| snapshot
2012-10-31	Dawid Jagiela	fix tcpu function in cluster/wham for gfortran	commit \| commitdiff \| tree \| snapshot
2012-10-31	Dawid Jagiela	Merge branch 'devel' of mmka:unres into devel	commit \| commitdiff \| tree \| snapshot
2012-10-31	Dawid Jagiela	tcpu function fix for gfortran	commit \| commitdiff \| tree \| snapshot
2012-10-31	Dawid Jagiela	CMake makro cinfo.f fix	commit \| commitdiff \| tree \| snapshot
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