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

2016-03-16	Cezary Czaplewski	Adam's corrections to wham	commit \| commitdiff \| tree \| snapshot
2016-03-04	Cezary Czaplewski	Adam's changes to wham and cluster following previous...	commit \| commitdiff \| tree \| snapshot
2016-03-04	Cezary Czaplewski	Adam's changes to avoid wrong XG.. or ..GX sequence...	commit \| commitdiff \| tree \| snapshot
2016-03-03	Cezary Czaplewski	max_template instead of fix number 19 in wham and cluster	commit \| commitdiff \| tree \| snapshot
2016-03-03	Cezary Czaplewski	corrections to changes form nostromo	commit \| commitdiff \| tree \| snapshot
2016-03-03	Cezary Czaplewski	changes from nostromo	commit \| commitdiff \| tree \| snapshot
2016-02-25	Cezary Czaplewski	default iset in cluster_wham set to 1	commit \| commitdiff \| tree \| snapshot
2016-02-25	Cezary Czaplewski	some corrections to previous commit from nostromo	commit \| commitdiff \| tree \| snapshot
2016-02-25	Cezary Czaplewski	Adam's changes from nostromo to wham with homology	commit \| commitdiff \| tree \| snapshot
2016-02-17	Cezary Czaplewski	correction for homol_nset>1 and waga_homology(iset...	commit \| commitdiff \| tree \| snapshot
2016-01-28	Cezary Czaplewski	compilation of large cluster_wham with -mcmodel=medium...	commit \| commitdiff \| tree \| snapshot
2016-01-28	Cezary Czaplewski	compilation of large wham with -mcmodel=medium -shared...	commit \| commitdiff \| tree \| snapshot
2016-01-28	Cezary Czaplewski	correction to cluter_wham	commit \| commitdiff \| tree \| snapshot
2016-01-28	Cezary Czaplewski	cleaning (links and backup files)	commit \| commitdiff \| tree \| snapshot
2016-01-28	Cezary Czaplewski	wham with mpich2 (no aliasing) and new dimenstions	commit \| commitdiff \| tree \| snapshot
2016-01-28	Cezary Czaplewski	max_template=25	commit \| commitdiff \| tree \| snapshot
2016-01-28	Cezary Czaplewski	all CMakeLists.txt updated with corrected names and...	commit \| commitdiff \| tree \| snapshot
2016-01-28	Cezary Czaplewski	correction - adding ehomology_constr	commit \| commitdiff \| tree \| snapshot
2015-11-30	Cezary Czaplewski	Ehomology printout with PRINT_COMPON	commit \| commitdiff \| tree \| snapshot
2015-11-30	Cezary Czaplewski	timlim function ovrtim only on master and MPI_Bcast	commit \| commitdiff \| tree \| snapshot
2015-11-22	Cezary Czaplewski	Merge branch 'homology' of mmka.chem.univ.gda.pl:unres...	commit \| commitdiff \| tree \| snapshot
2015-11-22	Cezary Czaplewski	CONSTR_HOMOL in mutlichain, debug and output cleaning	commit \| commitdiff \| tree \| snapshot
2015-10-27	Cezary Czaplewski	printmat added to cmake	commit \| commitdiff \| tree \| snapshot
2015-10-27	Cezary Czaplewski	ENERGY_DEC printout works for ESTR	commit \| commitdiff \| tree \| snapshot
2015-10-26	Cezary Czaplewski	ENERGY_DEC printout works for ebend in E0LL2Y forcefield	commit \| commitdiff \| tree \| snapshot
2015-10-23	Cezary Czaplewski	preminim in multichain code	commit \| commitdiff \| tree \| snapshot
2015-10-20	Cezary Czaplewski	changes to avoid problems with MPI_Scatterv in mpich2...	commit \| commitdiff \| tree \| snapshot
2015-10-20	Cezary Czaplewski	Adasko's changes to ebend	commit \| commitdiff \| tree \| snapshot
2015-10-08	Cezary Czaplewski	energy_dec works with etors_d	commit \| commitdiff \| tree \| snapshot
2015-10-06	Cezary Czaplewski	unres src_MD-M from branch Multichain	commit \| commitdiff \| tree \| snapshot
2015-09-30	Cezary Czaplewski	cmake is working for cluster_unres	commit \| commitdiff \| tree \| snapshot
2015-09-30	Adam Liwo	Merge branch 'homology' of mmka.chem.univ.gda.pl:unres...	commit \| commitdiff \| tree \| snapshot
2015-09-30	Adam Liwo	Added main_clust.F	commit \| commitdiff \| tree \| snapshot
2015-09-30	Cezary Czaplewski	Merge branch 'homology' of mmka.chem.univ.gda.pl:unres...	commit \| commitdiff \| tree \| snapshot
2015-09-30	Cezary Czaplewski	cutoff for dfa beta formation to speed up calculations	commit \| commitdiff \| tree \| snapshot
2015-09-15	Adam Liwo	Added newly created cluster exe and makefile	commit \| commitdiff \| tree \| snapshot
2015-08-11	Adam Liwo	Minor change in unres-cluster DIMENSIONS	commit \| commitdiff \| tree \| snapshot
2015-08-11	Adam Liwo	Cluster/unres modified to read MD coordinates in CX...	commit \| commitdiff \| tree \| snapshot
2015-08-01	Adam Liwo	Merge branch 'homology' of mmka.chem.univ.gda.pl:unres...	commit \| commitdiff \| tree \| snapshot
2015-08-01	Cezary Czaplewski	read2sigma - now without this option code works as...	commit \| commitdiff \| tree \| snapshot
2015-07-31	Adam Liwo	pulled readrtns	commit \| commitdiff \| tree \| snapshot
2015-07-31	Cezary Czaplewski	restoring read2sigma code after wrong merge	commit \| commitdiff \| tree \| snapshot
2015-07-31	Cezary Czaplewski	Merge branch 'homology' of mmka.chem.univ.gda.pl:unres...	commit \| commitdiff \| tree \| snapshot
2015-07-31	Cezary Czaplewski	new format of read2sigma *sco files (res number in...	commit \| commitdiff \| tree \| snapshot
2015-07-31	Adam Liwo	Merge branch 'homology' of mmka.chem.univ.gda.pl:unres...	commit \| commitdiff \| tree \| snapshot
2015-07-31	Adam Liwo	By AL: fixed FGPROCS>1 problem in HMREMD; iset passed...	commit \| commitdiff \| tree \| snapshot
2015-07-28	Cezary Czaplewski	bugfix for read2sigma with different domain definition...	commit \| commitdiff \| tree \| snapshot
2015-07-21	Cezary Czaplewski	Merge branch 'homology' of mmka.chem.univ.gda.pl:unres...	commit \| commitdiff \| tree \| snapshot
2015-07-21	Cezary Czaplewski	read2sigma supports separate domain definition in...	commit \| commitdiff \| tree \| snapshot
2015-07-18	Adam Liwo	Added putting secondary-structure information to the...	commit \| commitdiff \| tree \| snapshot
2015-07-17	Adam Liwo	Merge branch 'homology' of mmka.chem.univ.gda.pl:unres...	commit \| commitdiff \| tree \| snapshot
2015-07-17	Adam Liwo	Added Makefiles	commit \| commitdiff \| tree \| snapshot
2015-07-17	Cezary Czaplewski	the first version of READ2SIGMA - the same domains...	commit \| commitdiff \| tree \| snapshot
2015-07-09	Adam Liwo	Fixed the "***" issue in PDB output format by shifting...	commit \| commitdiff \| tree \| snapshot
2015-06-28	Adam Liwo	Fixes to compile WHAM and CLUSTER on AIX (nostromo...	commit \| commitdiff \| tree \| snapshot
2015-06-17	Adam Liwo	Added ifdefs to include/exlucde DFA becuase of the...	commit \| commitdiff \| tree \| snapshot
2015-06-12	Adam Liwo	Fixed the homology gradient in finegrain mode	commit \| commitdiff \| tree \| snapshot
2015-06-07	Adam Liwo	Added an option to compile unres, wham, and cluster...	commit \| commitdiff \| tree \| snapshot
2015-06-07	Adam Liwo	Fixes made in connection to Hamiltonian replica exchang...	commit \| commitdiff \| tree \| snapshot
2015-05-28	Adam Liwo	Fixed main module of WHAM	commit \| commitdiff \| tree \| snapshot
2015-05-14	Adam Liwo	Fixed the following components:	commit \| commitdiff \| tree \| snapshot
2015-05-13	Adam Liwo	Fixed a MAJOR error in WHAM; energies were computed...	commit \| commitdiff \| tree \| snapshot
2015-05-07	Cezary Czaplewski	cmake compilation for cluster and wham repaired	commit \| commitdiff \| tree \| snapshot
2015-05-06	Cezary Czaplewski	minimization in int works with FGPROCS>1	commit \| commitdiff \| tree \| snapshot
2015-04-16	Felipe Pineda	Merge branch 'homology' of mmka.chem.univ.gda.pl:unres...	commit \| commitdiff \| tree \| snapshot
2015-04-16	Felipe Pineda	WHAM and CLUSTER with HM restraints by AL and FP	commit \| commitdiff \| tree \| snapshot
2015-03-17	Cezary Czaplewski	remd with homol_nset>1 working with FG parallelization	commit \| commitdiff \| tree \| snapshot
2015-03-13	Cezary Czaplewski	changes to avoid PMPI_Scatterv: Invalid buffer pointer...	commit \| commitdiff \| tree \| snapshot
2015-03-06	Felipe Pineda	Lorentzian-type distance restraint energy implemented	commit \| commitdiff \| tree \| snapshot
2015-03-04	Felipe Pineda	common.control cleaning	commit \| commitdiff \| tree \| snapshot
2015-03-04	Felipe Pineda	Merge branch 'homology' of mmka.chem.univ.gda.pl:unres...	commit \| commitdiff \| tree \| snapshot
2015-03-04	Felipe Pineda	After final fix by AL	commit \| commitdiff \| tree \| snapshot
2015-03-03	Cezary Czaplewski	REMD with HOMOL_NSET>1 and single weight for all homolo...	commit \| commitdiff \| tree \| snapshot
2015-02-25	Felipe Pineda	Merge branch 'homology' of mmka.chem.univ.gda.pl:unres...	commit \| commitdiff \| tree \| snapshot
2015-02-25	Felipe Pineda	Merge branch 'master' of mmka.chem.univ.gda.pl:unres...	commit \| commitdiff \| tree \| snapshot
2015-02-25	Cezary Czaplewski	respa now working without dfa weights	commit \| commitdiff \| tree \| snapshot
2015-02-20	Felipe Pineda	Merge branch 'homology' of mmka.chem.univ.gda.pl:unres...	commit \| commitdiff \| tree \| snapshot
2015-02-20	Cezary Czaplewski	Merge branch 'prerelease-3.2.1'	commit \| commitdiff \| tree \| snapshot
2015-02-19	Adam Sieradzan	EBE change in prerealese-3.2.1 make dummy atom idependent	commit \| commitdiff \| tree \| snapshot
2015-02-16	Adam Sieradzan	poprawka w src_MD	commit \| commitdiff \| tree \| snapshot
2015-02-16	Adam Sieradzan	Poprawiony src_MD-M gradient	commit \| commitdiff \| tree \| snapshot
2015-02-12	Felipe Pineda	1st running version of UNRES HM by FP and AL	commit \| commitdiff \| tree \| snapshot
2015-02-11	Adam Sieradzan	Merge branch 'prerelease-3.2.1' of mmka:unres into...	commit \| commitdiff \| tree \| snapshot
2015-02-11	Adam Sieradzan	rozgrzebana minimalizacja	commit \| commitdiff \| tree \| snapshot
2015-02-11	Adam Sieradzan	intro of SCCOR into src_MIN	commit \| commitdiff \| tree \| snapshot
2015-01-24	Adam Liwo	Corrected refsys.f in src_MD-M	commit \| commitdiff \| tree \| snapshot
2015-01-24	Dawid Jagieła	removed maxlik paths from cmake sources	commit \| commitdiff \| tree \| snapshot
2015-01-23	Adam Liwo	refsys	commit \| commitdiff \| tree \| snapshot
2015-01-23	Adam Liwo	Merge branch 'prerelease-3.2.1' of mmka.chem.univ.gda...	commit \| commitdiff \| tree \| snapshot
2015-01-23	Adam Liwo	Corrected refsys.f in src_MD-M	commit \| commitdiff \| tree \| snapshot
2015-01-22	Adam Sieradzan	Merge branch 'prerelease-3.2.1' of mmka:unres into...	commit \| commitdiff \| tree \| snapshot
2015-01-19	Adam Sieradzan	dzialajacy wham+poprawka w funckji energi+ poprawka...	commit \| commitdiff \| tree \| snapshot
2015-01-08	Cezary Czaplewski	dfa.F was missing form cmake configurations files	commit \| commitdiff \| tree \| snapshot
2015-01-08	Cezary Czaplewski	Makefiles for mpich2 and some corrections to Makefiles	commit \| commitdiff \| tree \| snapshot
2015-01-05	Adam Liwo	Merge branch 'prerelease-3.2.1' of mmka.chem.univ.gda...	commit \| commitdiff \| tree \| snapshot
2015-01-05	Adam Liwo	Added cinfo	commit \| commitdiff \| tree \| snapshot
2015-01-05	Adam Liwo	MREMD corrected; Langevin mode (bcast instead of scatte...	commit \| commitdiff \| tree \| snapshot
2015-01-04	Adam Sieradzan	poprawka gradientu w CSA	commit \| commitdiff \| tree \| snapshot
2015-01-04	Adam Sieradzan	Naprawienie wham'a oraz wprowadzenie SCcorr do CSA	commit \| commitdiff \| tree \| snapshot
2014-12-30	Adam Sieradzan	wprowadzenie do multichaina SCcorr	commit \| commitdiff \| tree \| snapshot
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