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Martini-Force-Field-Initiative
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GoMartini
New virtual-site implementation of GōMartini for the Martini 3 forcefield
Apache License 2.0
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Topology issues
#18
fercofas
opened
1 year ago
2
Meaning of these lines
#17
fgrunewald
opened
1 year ago
1
Separate Intrachain Go from Interchain Go
#16
Lp0lp
opened
1 year ago
1
New cols vector and --missres flag are conflicting
#15
sebtha
opened
1 year ago
0
Ensure an itp generated w/ dssp when using the --bias_auto flag
#14
sebtha
opened
1 year ago
2
Packaging the tool.
#13
Lp0lp
closed
1 year ago
0
Get rid of the --Natoms flag
#12
Lp0lp
opened
1 year ago
1
Adds Readme Documentation
#11
Lp0lp
closed
1 year ago
0
Package this project
#10
Lp0lp
opened
1 year ago
1
Modified target contact map columns from PDB resnum format to Martinize resnum format.
#9
Lp0lp
closed
1 year ago
0
Adds function to automatically apply W-VS bias dependent on secondary structure.
#8
Lp0lp
closed
1 year ago
0
Code Cleanup + VS-W Sigma now depends on residue and its BB bead size.
#7
Lp0lp
closed
1 year ago
0
Tidy up the documentation, and write up a tutorial on how to use this thing.
#6
Lp0lp
opened
1 year ago
1
Make it possible to add different W-VS biases to different residues.
#5
Lp0lp
closed
1 year ago
0
Make multimers work. Add -merge.
#4
Lp0lp
closed
1 year ago
3
Make it easier to add W-VS bias potentials that are not numbered consecutively.
#3
Lp0lp
closed
1 year ago
2
Check other versions of the script and merge code.
#2
Lp0lp
closed
1 year ago
3
Make it so that W-VS potential bias sigma matches bead size
#1
Lp0lp
closed
1 year ago
1