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

2016-04-29	Cezary Czaplewski	DIST2_CUT introduced for homology to remove restraints	commit \| commitdiff \| tree
2016-04-29	Cezary Czaplewski	ctest -DUNRES_MPIRUN=1 for tryton	commit \| commitdiff \| tree
2016-04-29	Cezary Czaplewski	sigma read from .sco without 0.5d0(rescore_tmp+0...	commit \| commitdiff \| tree
2016-04-28	Cezary Czaplewski	mremd with homology constrains can start each replica...	commit \| commitdiff \| tree
2016-04-28	Cezary Czaplewski	ctest for src-M are off	commit \| commitdiff \| tree
2016-04-27	Cezary Czaplewski	ctest for empty stat files	commit \| commitdiff \| tree
2016-04-27	Cezary Czaplewski	unres_pdb last dummy residue corrected as in prerelease	commit \| commitdiff \| tree
2016-04-27	Cezary Czaplewski	ctest copied from prerelease	commit \| commitdiff \| tree
2016-04-22	Cezary Czaplewski	cmake -DUNRES_DFA to switch on DFA in unres	commit \| commitdiff \| tree
2016-04-12	Cezary Czaplewski	constr_homol corrections in wham and cluster_wham to...	commit \| commitdiff \| tree
2016-04-12	Cezary Czaplewski	wham corrections	commit \| commitdiff \| tree
2016-04-12	Cezary Czaplewski	first and last GLY in seq gives correct energy in unres...	commit \| commitdiff \| tree
2016-03-03	Cezary Czaplewski	max_template instead of fix number 19 in wham and cluster	commit \| commitdiff \| tree
2016-03-03	Cezary Czaplewski	corrections to changes form nostromo	commit \| commitdiff \| tree
2016-02-25	Cezary Czaplewski	some corrections to previous commit from nostromo	commit \| commitdiff \| tree
2016-02-17	Cezary Czaplewski	correction for homol_nset>1 and waga_homology(iset...	commit \| commitdiff \| tree
2016-01-28	Cezary Czaplewski	compilation of large cluster_wham with -mcmodel=medium...	commit \| commitdiff \| tree
2016-01-28	Cezary Czaplewski	compilation of large wham with -mcmodel=medium -shared...	commit \| commitdiff \| tree
2016-01-28	Cezary Czaplewski	correction to cluter_wham	commit \| commitdiff \| tree
2016-01-28	Cezary Czaplewski	cleaning (links and backup files)	commit \| commitdiff \| tree
2016-01-28	Cezary Czaplewski	wham with mpich2 (no aliasing) and new dimenstions	commit \| commitdiff \| tree
2016-01-28	Cezary Czaplewski	max_template=25	commit \| commitdiff \| tree
2016-01-28	Cezary Czaplewski	all CMakeLists.txt updated with corrected names and...	commit \| commitdiff \| tree
2016-01-28	Cezary Czaplewski	correction - adding ehomology_constr	commit \| commitdiff \| tree
2015-11-30	Cezary Czaplewski	Ehomology printout with PRINT_COMPON	commit \| commitdiff \| tree
2015-11-30	Cezary Czaplewski	timlim function ovrtim only on master and MPI_Bcast	commit \| commitdiff \| tree
2015-11-22	Cezary Czaplewski	Merge branch 'homology' of mmka.chem.univ.gda.pl:unres...	commit \| commitdiff \| tree
2015-11-22	Cezary Czaplewski	CONSTR_HOMOL in mutlichain, debug and output cleaning	commit \| commitdiff \| tree
2015-10-27	Cezary Czaplewski	printmat added to cmake	commit \| commitdiff \| tree
2015-10-27	Cezary Czaplewski	ENERGY_DEC printout works for ESTR	commit \| commitdiff \| tree
2015-10-26	Cezary Czaplewski	ENERGY_DEC printout works for ebend in E0LL2Y forcefield	commit \| commitdiff \| tree
2015-10-23	Cezary Czaplewski	preminim in multichain code	commit \| commitdiff \| tree
2015-10-20	Cezary Czaplewski	changes to avoid problems with MPI_Scatterv in mpich2...	commit \| commitdiff \| tree
2015-10-20	Cezary Czaplewski	Adasko's changes to ebend	commit \| commitdiff \| tree
2015-10-08	Cezary Czaplewski	energy_dec works with etors_d	commit \| commitdiff \| tree
2015-10-06	Cezary Czaplewski	unres src_MD-M from branch Multichain	commit \| commitdiff \| tree
2015-09-30	Cezary Czaplewski	cmake is working for cluster_unres	commit \| commitdiff \| tree
2015-09-30	Cezary Czaplewski	Merge branch 'homology' of mmka.chem.univ.gda.pl:unres...	commit \| commitdiff \| tree
2015-09-30	Cezary Czaplewski	cutoff for dfa beta formation to speed up calculations	commit \| commitdiff \| tree
2015-08-01	Cezary Czaplewski	read2sigma - now without this option code works as...	commit \| commitdiff \| tree
2015-07-31	Cezary Czaplewski	restoring read2sigma code after wrong merge	commit \| commitdiff \| tree
2015-07-31	Cezary Czaplewski	Merge branch 'homology' of mmka.chem.univ.gda.pl:unres...	commit \| commitdiff \| tree
2015-07-31	Cezary Czaplewski	new format of read2sigma *sco files (res number in...	commit \| commitdiff \| tree
2015-07-28	Cezary Czaplewski	bugfix for read2sigma with different domain definition...	commit \| commitdiff \| tree
2015-07-21	Cezary Czaplewski	Merge branch 'homology' of mmka.chem.univ.gda.pl:unres...	commit \| commitdiff \| tree
2015-07-21	Cezary Czaplewski	read2sigma supports separate domain definition in...	commit \| commitdiff \| tree
2015-07-17	Cezary Czaplewski	the first version of READ2SIGMA - the same domains...	commit \| commitdiff \| tree
2015-05-07	Cezary Czaplewski	cmake compilation for cluster and wham repaired	commit \| commitdiff \| tree
2015-05-06	Cezary Czaplewski	minimization in int works with FGPROCS>1	commit \| commitdiff \| tree
2015-03-17	Cezary Czaplewski	remd with homol_nset>1 working with FG parallelization	commit \| commitdiff \| tree
2015-03-13	Cezary Czaplewski	changes to avoid PMPI_Scatterv: Invalid buffer pointer...	commit \| commitdiff \| tree
2015-03-03	Cezary Czaplewski	REMD with HOMOL_NSET>1 and single weight for all homology...	commit \| commitdiff \| tree
2015-02-25	Cezary Czaplewski	respa now working without dfa weights	commit \| commitdiff \| tree
2015-02-20	Cezary Czaplewski	Merge branch 'prerelease-3.2.1'	commit \| commitdiff \| tree
2015-01-08	Cezary Czaplewski	dfa.F was missing form cmake configurations files	commit \| commitdiff \| tree
2015-01-08	Cezary Czaplewski	Makefiles for mpich2 and some corrections to Makefiles	commit \| commitdiff \| tree
2014-12-05	Cezary Czaplewski	correction to 4P energy and csa examples	commit \| commitdiff \| tree
2014-12-05	Cezary Czaplewski	corrected example CSA run with 4P	commit \| commitdiff \| tree
2014-12-05	Cezary Czaplewski	new options for mpich2 with gfortran Makefile	commit \| commitdiff \| tree
2014-12-05	Cezary Czaplewski	src_CSA_DiL removed from prerelease, current version...	commit \| commitdiff \| tree
2014-11-28	Cezary Czaplewski	testing 2D replica exchange with FPROCS>1	commit \| commitdiff \| tree
2014-11-09	Cezary Czaplewski	restart is now working with HOMOL_NSET	commit \| commitdiff \| tree
2014-11-07	Cezary Czaplewski	untrack *.exe in git	commit \| commitdiff \| tree
2014-11-07	Cezary Czaplewski	some corrections to 2D replica exchange with homology	commit \| commitdiff \| tree
2014-11-07	Cezary Czaplewski	2D replica exchange with homology constraints	commit \| commitdiff \| tree
2014-10-08	Cezary Czaplewski	correct default option for compilers in cluster CmakeList.txt	commit \| commitdiff \| tree
2013-09-02	Cezary Czaplewski	Merge branch 'prerelease-3.2.1' of mmka:unres into...	commit \| commitdiff \| tree
2013-09-02	Cezary Czaplewski	dynamic disulfides in multichain	commit \| commitdiff \| tree
2013-08-07	Cezary Czaplewski	decrease of Max_Parm to 32 necessary for 4GB machine	commit \| commitdiff \| tree
2013-08-05	Cezary Czaplewski	Merge branch 'prerelease-3.2.1' of mmka:unres into...	commit \| commitdiff \| tree
2013-08-05	Cezary Czaplewski	only new xdrf2pdb binary	commit \| commitdiff \| tree
2013-05-07	Cezary Czaplewski	some corrections in xdrf2pdb-m for dyn_ss	commit \| commitdiff \| tree
2013-04-30	Cezary Czaplewski	Merge branch 'prerelease-3.2.1' of mmka:unres into...	commit \| commitdiff \| tree
2013-04-30	Cezary Czaplewski	testing ssbond in cx	commit \| commitdiff \| tree
2013-02-19	Cezary Czaplewski	dyn_ss and other finegrain printout cleaning	commit \| commitdiff \| tree
2013-02-18	Cezary Czaplewski	dynamic dissulfides with finegrain parallelization...	commit \| commitdiff \| tree
2013-02-18	Cezary Czaplewski	Merge branch 'prerelease-3.2.1' of mmka:unres into...	commit \| commitdiff \| tree
2013-02-18	Cezary Czaplewski	dynamic dissulfides with finegrain parallelization	commit \| commitdiff \| tree
2013-02-18	Cezary Czaplewski	compilation only	commit \| commitdiff \| tree
2013-02-17	Cezary Czaplewski	dyn_ss writing pdb and ihpb cleaning	commit \| commitdiff \| tree
2013-02-16	Cezary Czaplewski	more type cleaning in DFA	commit \| commitdiff \| tree
2013-02-16	Cezary Czaplewski	type declaration in COMMON.DFA	commit \| commitdiff \| tree
2013-02-16	Cezary Czaplewski	no type declaration in common	commit \| commitdiff \| tree
2013-02-16	Cezary Czaplewski	no type declaration in common	commit \| commitdiff \| tree
2013-02-16	Cezary Czaplewski	common sccor rename to avoid conflict with torsion	commit \| commitdiff \| tree
2013-02-16	Cezary Czaplewski	classical Makefile cleaning	commit \| commitdiff \| tree
2013-02-16	Cezary Czaplewski	rename common sccorin src_CSA	commit \| commitdiff \| tree
2013-02-16	Cezary Czaplewski	src_MD-M compiles with old Makefile and common sccor...	commit \| commitdiff \| tree
2013-02-16	Cezary Czaplewski	common name correction	commit \| commitdiff \| tree
2013-02-16	Cezary Czaplewski	prng and not prng_32 for gfortran	commit \| commitdiff \| tree
2013-02-16	Cezary Czaplewski	prng and not prng_32 for f95	commit \| commitdiff \| tree
2013-02-16	Cezary Czaplewski	new SCCORPAR for ctest	commit \| commitdiff \| tree
2013-02-16	Cezary Czaplewski	common reorder to avoid padding in gfortran	commit \| commitdiff \| tree
2013-02-15	Cezary Czaplewski	dynamic disulfides are working again in md	commit \| commitdiff \| tree
2013-02-15	Cezary Czaplewski	adding ename to statout with PRINT_COMPON	commit \| commitdiff \| tree
2013-02-15	Cezary Czaplewski	MULTCONF is working now	commit \| commitdiff \| tree
2013-02-15	Cezary Czaplewski	error message when reading SCCOR corrected	commit \| commitdiff \| tree
2013-02-15	Cezary Czaplewski	ss_dyn compiles with make and with cmake	commit \| commitdiff \| tree
2013-02-15	Cezary Czaplewski	dynamic SS from old Maurizio's code	commit \| commitdiff \| tree
2013-02-14	Cezary Czaplewski	compilation only	commit \| commitdiff \| tree
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