Ecosyste.ms: Issues
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GitHub / tylerjereddy/steric-conflict-resolution issues and pull requests
#24 - Degeneracies in input topologies
Issue -
State: open - Opened by tylerjereddy over 8 years ago
Labels: bug
#23 - WIP: debug issues between rounds
Pull Request -
State: closed - Opened by tylerjereddy over 8 years ago
- 1 comment
Labels: bug
#22 - Switched to using multiple cores for the alchemical mdrun in the work…
Pull Request -
State: closed - Opened by tylerjereddy over 8 years ago
- 1 comment
Labels: enhancement
#21 - Using multiple cores
Issue -
State: closed - Opened by tylerjereddy over 8 years ago
Labels: enhancement
#20 - GROMACS version / memory Issue #19
Pull Request -
State: closed - Opened by tylerjereddy over 8 years ago
Labels: bug
#19 - GROMACS version / free energy "memory" issue
Issue -
State: closed - Opened by tylerjereddy over 8 years ago
Labels: bug
#18 - Similar name restraint mapping
Pull Request -
State: closed - Opened by tylerjereddy over 8 years ago
Labels: bug
#17 - Similar residue name mappings
Issue -
State: closed - Opened by tylerjereddy over 8 years ago
Labels: bug
#16 - Enabling Restarts
Pull Request -
State: closed - Opened by tylerjereddy over 8 years ago
Labels: enhancement
#15 - Fix merging of residues with similar names
Pull Request -
State: closed - Opened by tylerjereddy over 8 years ago
Labels: bug
#14 - restarting / checkpointing
Issue -
State: closed - Opened by tylerjereddy over 8 years ago
Labels: enhancement
#13 - output / error buffering
Issue -
State: open - Opened by tylerjereddy over 8 years ago
Labels: enhancement
#12 - GROMACS portability
Issue -
State: open - Opened by tylerjereddy over 8 years ago
Labels: enhancement
#11 - molname comment line in MARTINI .itp file parsing
Issue -
State: open - Opened by tylerjereddy over 8 years ago
Labels: bug
#10 - Added an MDAnalysis version check to run_steric_resolution.py
Pull Request -
State: closed - Opened by tylerjereddy over 8 years ago
Labels: enhancement
#9 - Resolve redundant restrained names
Pull Request -
State: closed - Opened by tylerjereddy over 8 years ago
Labels: bug
#8 - Input Checking Residue Names
Issue -
State: open - Opened by tylerjereddy over 8 years ago
Labels: bug
#7 - Added .tpr reading support
Pull Request -
State: closed - Opened by tylerjereddy over 8 years ago
Labels: enhancement
#6 - Increased the size of the container used for the adjusted coordinates
Pull Request -
State: closed - Opened by tylerjereddy over 8 years ago
Labels: enhancement
#5 - Clean up output files
Pull Request -
State: closed - Opened by tylerjereddy over 8 years ago
Labels: enhancement
#4 - run_steric_resolution.py now plots cumulative results automatically
Pull Request -
State: closed - Opened by tylerjereddy over 8 years ago
Labels: enhancement
#3 - Removed debug print statements from run_steric_resolution.py
Pull Request -
State: closed - Opened by tylerjereddy over 8 years ago
Labels: enhancement
#2 - Adjusting coordinates now centers as well
Pull Request -
State: closed - Opened by tylerjereddy over 8 years ago
Labels: enhancement
#1 - Multiresidue Support
Pull Request -
State: closed - Opened by tylerjereddy over 8 years ago
Labels: enhancement