mmka.chem.univ.gda.pl Git - django

2017-08-26	Cezary Czaplewski	remd prob. correction format	commit \| commitdiff \| tree
2017-08-26	Cezary Czaplewski	remd prob. correction	commit \| commitdiff \| tree
2017-08-26	Cezary Czaplewski	print remd cluster probability	commit \| commitdiff \| tree
2017-08-26	Cezary Czaplewski	rgyr correction	commit \| commitdiff \| tree
2017-08-26	Cezary Czaplewski	md: radius of gyration plot	commit \| commitdiff \| tree
2017-08-26	Cezary Czaplewski	etoh cherry merge correction	commit \| commitdiff \| tree
2017-08-26	Cezary Czaplewski	filter stat files before plot	commit \| commitdiff \| tree
2017-08-26	Cezary Czaplewski	remd ex plot from 0 step	commit \| commitdiff \| tree
2017-08-26	Cezary Czaplewski	remd plot all ex with multiplexing	commit \| commitdiff \| tree
2017-08-26	Cezary Czaplewski	printout as on etoh	commit \| commitdiff \| tree
2017-08-22	Cezary Czaplewski	processing of wham pdb only for task.type=='remd'	commit \| commitdiff \| tree
2017-08-22	Cezary Czaplewski	changes of os.chdir(instance.jobdirname) os.chdir(...	commit \| commitdiff \| tree
2017-08-21	Cezary Czaplewski	free energy and ave rmsd for models in remd	commit \| commitdiff \| tree
2017-08-21	Cezary Czaplewski	display tau and scal_fric only for correct thermostat	commit \| commitdiff \| tree
2017-08-21	Cezary Czaplewski	initial git commit	commit \| commitdiff \| tree

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