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

2016-03-30	Adam Sieradzan	wham is prining energies; all "good" changes seems...	commit \| commitdiff \| tree
2016-03-15	Adam Sieradzan	correct in cluster (working)	commit \| commitdiff \| tree
2016-03-08	Adam Sieradzan	bug fix after Ana and cluster lipid (still in progress)	commit \| commitdiff \| tree
2016-02-11	Adam Sieradzan	working cluser DEBUG OFF	commit \| commitdiff \| tree
2016-02-11	Adam Sieradzan	introduction of shielding to cluster DEBUG mode	commit \| commitdiff \| tree
2016-02-04	Adam Sieradzan	BUG FIX in arcos.f	commit \| commitdiff \| tree
2016-02-03	Adam Sieradzan	correction in wham and UNRES for lipid and correlation	commit \| commitdiff \| tree
2016-01-14	Adam Sieradzan	Adding new param files for Czybyszew	commit \| commitdiff \| tree
2016-01-14	Adam Sieradzan	Merge branch 'AFM' of mmka:unres into AFM	commit \| commitdiff \| tree
2016-01-12	Adam Sieradzan	adding common shield	commit \| commitdiff \| tree
2016-01-12	Adam Sieradzan	changes in wham	commit \| commitdiff \| tree
2015-12-11	Adam Sieradzan	changes in shielding	commit \| commitdiff \| tree
2015-12-02	Adam Sieradzan	correction in shield	commit \| commitdiff \| tree
2015-11-27	Adam Sieradzan	AFM cleaning with pgi compiler	commit \| commitdiff \| tree
2015-11-26	Adam Sieradzan	implementation of czybyszeb grad ok	commit \| commitdiff \| tree
2015-11-20	Adam Sieradzan	adding of Czybyshev part 1	commit \| commitdiff \| tree
2015-11-06	Adam Sieradzan	working gradient for shielding - even the fine grain...	commit \| commitdiff \| tree
2015-11-02	Adam Sieradzan	rozgrzebany shield	commit \| commitdiff \| tree
2015-10-29	Adam Sieradzan	correction in readrefstr	commit \| commitdiff \| tree
2015-10-21	Adam Sieradzan	sprawdzenie shieldingu	commit \| commitdiff \| tree
2015-10-12	Adam Sieradzan	debug off	commit \| commitdiff \| tree
2015-09-29	Adam Sieradzan	Merge branch 'lipid' into AFM	commit \| commitdiff \| tree
2015-09-29	Adam Sieradzan	ESSENTIAL CHANGE - BUG FIX in ENERGY to have old Correlation	commit \| commitdiff \| tree
2015-09-29	Adam Sieradzan	wham in lipid still diff	commit \| commitdiff \| tree
2015-09-29	Adam Sieradzan	modified lipid parm	commit \| commitdiff \| tree
2015-09-23	Adam Sieradzan	bug fix in extconf	commit \| commitdiff \| tree
2015-09-22	Adam Sieradzan	working shielding	commit \| commitdiff \| tree
2015-09-09	Adam Sieradzan	changes in parameter file and debug off	commit \| commitdiff \| tree
2015-09-09	Adam Sieradzan	new lipid potentials	commit \| commitdiff \| tree
2015-09-08	Adam Sieradzan	Shielding part 2	commit \| commitdiff \| tree
2015-09-01	Adam Sieradzan	introduction of shielding effect (volume of overlap)	commit \| commitdiff \| tree
2015-08-06	Adam Sieradzan	Merge branch 'devel' into AFM	commit \| commitdiff \| tree
2015-08-06	Adam Sieradzan	first changes for shielding	commit \| commitdiff \| tree
2015-08-06	Adam Sieradzan	Merge branch 'AFM' into multichain	commit \| commitdiff \| tree
2015-08-06	Adam Sieradzan	intoduction of constant velocity for spring	commit \| commitdiff \| tree
2015-08-03	Adam Sieradzan	adding of sccor am1 parameter file	commit \| commitdiff \| tree
2015-08-03	Adam Sieradzan	1) debug of Lorentzian like constrains in cluster 2...	commit \| commitdiff \| tree
2015-08-02	Adam Sieradzan	first introduction of valence constrains - not working yet	commit \| commitdiff \| tree
2015-07-31	Adam Sieradzan	introduction of different ftors for each site	commit \| commitdiff \| tree
2015-07-31	Adam Sieradzan	First trial to introduce steered MD non successful	commit \| commitdiff \| tree
2015-07-28	Adam Sieradzan	Intoduction Lorentizan like restrains to cluster	commit \| commitdiff \| tree
2015-07-21	Adam Sieradzan	WHAM for Lorentzian like constrains fixed - DEBUG OFF	commit \| commitdiff \| tree
2015-07-20	Adam Sieradzan	debuging WHAM for constrains DEBUG ON	commit \| commitdiff \| tree
2015-07-17	Adam Sieradzan	first attempt to indroduce AFM velocity	commit \| commitdiff \| tree
2015-07-10	Adam Sieradzan	introduction of quartic an Lonrentz constrains to WHAM	commit \| commitdiff \| tree
2015-07-06	Adam Sieradzan	Merge branch 'multichain' of mmka:unres into multichain	commit \| commitdiff \| tree
2015-07-06	Adam Sieradzan	intoduction of quartic restrains in multichain, bugfix...	commit \| commitdiff \| tree
2015-07-03	Adam Sieradzan	WeFold Lorentzian like potentials introduction	commit \| commitdiff \| tree
2015-06-26	Adam Sieradzan	Changes suggested by Ana	commit \| commitdiff \| tree
2015-06-25	Adam Sieradzan	Merge branch 'lipid' into AFM	commit \| commitdiff \| tree
2015-06-25	Adam Sieradzan	removal of double returnbox	commit \| commitdiff \| tree
2015-06-25	Adam Sieradzan	Merge branch 'multichain' into lipid	commit \| commitdiff \| tree
2015-06-23	Adam Sieradzan	small fix in lipids	commit \| commitdiff \| tree
2015-05-27	Adam Sieradzan	working cluster for dyn_ss and triss	commit \| commitdiff \| tree
2015-05-26	Adam Sieradzan	Debug cluster part 2	commit \| commitdiff \| tree
2015-05-26	Adam Sieradzan	Cluster debug ON	commit \| commitdiff \| tree
2015-05-26	Adam Sieradzan	havebond turnoff	commit \| commitdiff \| tree
2015-05-26	Adam Sieradzan	correction of readrtns	commit \| commitdiff \| tree
2015-05-26	Adam Sieradzan	Merge branch 'devel' of mmka:unres into devel	commit \| commitdiff \| tree
2015-05-26	Adam Sieradzan	energy_dec to logical	commit \| commitdiff \| tree
2015-05-26	Adam Sieradzan	Introduction of dyn_ss and triss to cluster	commit \| commitdiff \| tree
2015-05-25	Adam Sieradzan	hidden part of debug	commit \| commitdiff \| tree
2015-05-25	Adam Sieradzan	nss*ebr removed	commit \| commitdiff \| tree
2015-05-25	Adam Sieradzan	cxread debug 7	commit \| commitdiff \| tree
2015-05-25	Adam Sieradzan	debug part 6	commit \| commitdiff \| tree
2015-05-25	Adam Sieradzan	Debug 5	commit \| commitdiff \| tree
2015-05-25	Adam Sieradzan	another DEBUG	commit \| commitdiff \| tree
2015-05-25	Adam Sieradzan	dubug dss part 3	commit \| commitdiff \| tree
2015-05-25	Adam Sieradzan	diffrent name for evdw	commit \| commitdiff \| tree
2015-05-25	Adam Sieradzan	TRISS debug	commit \| commitdiff \| tree
2015-05-25	Adam Sieradzan	Warnig Debug ON	commit \| commitdiff \| tree
2015-05-24	Adam Sieradzan	Corrected WHAM and UNRES reading in SS dyn...	commit \| commitdiff \| tree
2015-05-23	Adam Sieradzan	Introduction of working dyn_ss and triss. Problems...	commit \| commitdiff \| tree
2015-05-23	Adam Sieradzan	Correction in readrtns	commit \| commitdiff \| tree
2015-05-23	Adam Sieradzan	Change in line of dyn_ss	commit \| commitdiff \| tree
2015-05-22	Adam Sieradzan	Merge branch 'devel' of mmka:unres into devel	commit \| commitdiff \| tree
2015-05-22	Adam Sieradzan	Adding dyn_ss and triss potentials to src-M wham	commit \| commitdiff \| tree
2015-05-06	Adam Sieradzan	correction in readpdb (bugfix)	commit \| commitdiff \| tree
2015-04-23	Adam Sieradzan	zmiany w geomout dla AFM	commit \| commitdiff \| tree
2015-04-17	Adam Sieradzan	Merge branch 'devel' of mmka:unres into devel	commit \| commitdiff \| tree
2015-04-17	Adam Sieradzan	poprawka w COMMON.SBRIDE dla triss	commit \| commitdiff \| tree
2015-04-17	Adam Sieradzan	Zaimplementowany AFM	commit \| commitdiff \| tree
2015-04-13	Adam Sieradzan	poprawka w intcartderiv	commit \| commitdiff \| tree
2015-04-13	Adam Sieradzan	Introduction of SS to newcorr and SSS to src_MD-M	commit \| commitdiff \| tree
2015-04-09	Adam Sieradzan	poprawka w pametrach	commit \| commitdiff \| tree
2015-03-25	Adam Sieradzan	important change for single processor for multi-chain	commit \| commitdiff \| tree
2015-03-19	Adam Sieradzan	chyba dzialajacy lipid	commit \| commitdiff \| tree
2015-03-18	Adam Sieradzan	Merge branch 'multichain' into lipid	commit \| commitdiff \| tree
2015-03-18	Adam Sieradzan	correction of correlation potentials	commit \| commitdiff \| tree
2015-03-18	Adam Sieradzan	poprawki w potencjalach	commit \| commitdiff \| tree
2015-03-16	Adam Sieradzan	drobne poprawki	commit \| commitdiff \| tree
2015-03-04	Adam Sieradzan	Merge branch 'multichain' of mmka:unres into lipid	commit \| commitdiff \| tree
2015-03-04	Adam Sieradzan	correction in multichain	commit \| commitdiff \| tree
2015-03-04	Adam Sieradzan	introduce lipid good grad wrong symplex	commit \| commitdiff \| tree
2015-02-24	Adam Sieradzan	Merge branch 'master' into multichain	commit \| commitdiff \| tree
2015-02-19	Adam Sieradzan	poprawki w ANG w src_MD-M	commit \| commitdiff \| tree
2015-02-10	Adam Sieradzan	wprowadzenie lipidow	commit \| commitdiff \| tree
2015-01-29	Adam Sieradzan	Introduction of lipid energy transfer	commit \| commitdiff \| tree
2014-12-17	Adam Sieradzan	Merge branch 'master' of mmka:unres	commit \| commitdiff \| tree
2014-12-17	Adam Sieradzan	zmiany w gitignore	commit \| commitdiff \| tree
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