MetaStable Tickets

TrajLab subproject: Metastability analysis of molecular conformations

Status: Beta

Brought to you by: bsch63, mweber72, sroeblitz

# Sort A -> Z Sort Z -> A	Summary▾ Sort A -> Z Sort Z -> A	Milestone▾ Sort A -> Z Sort Z -> A Filter by Milestone	Status▾ Sort A -> Z Sort Z -> A Filter by Status	Owner▾ Sort A -> Z Sort Z -> A Filter by Owner	Created▾ Sort A -> Z Sort Z -> A	Updated▾ Sort A -> Z Sort Z -> A
12	Global variables	Functionality	open	Burkhard Schmidt	2012-12-04	2012-12-04
11	Automatically identify essential dof's	Functionality	pending	Burkhard Schmidt	2012-11-30	2012-12-04
10	Split optimizeMetaStable into two functions	Functionality	pending	Burkhard Schmidt	2012-11-30	2012-12-04
9	Run getPhi only for newly added nodes ?!?	Efficiency	pending	Burkhard Schmidt	2012-11-30	2012-12-04
8	Run partitioning/clustering in parallel	Efficiency	pending	Burkhard Schmidt	2012-11-30	2012-12-04
7	Measure performance (profiling)	Efficiency	pending	Burkhard Schmidt	2012-11-30	2012-12-04
6	Automated correlation analysis	Functionality	pending	Burkhard Schmidt	2012-11-30	2012-12-04
5	Permutation of solvent molecules	Scientific	pending	Burkhard Schmidt	2012-11-30	2012-12-04
4	Combining atoms into molecules	Functionality	pending	Burkhard Schmidt	2012-11-30	2012-12-04
3	Moments of inertia and/or rotational constants	Functionality	pending	Burkhard Schmidt	2012-11-30	2012-12-04
2	Reading .ener and .edr files	Functionality	pending	Burkhard Schmidt	2012-11-30	2012-12-04
1	Reading .trr and .xtc files	Functionality	pending	Burkhard Schmidt	2012-11-30	2012-12-04