Martini-Force-Field-Initiative GoMartini issues

Martini-Force-Field-Initiative / GoMartini

New virtual-site implementation of GōMartini for the Martini 3 forcefield

Apache License 2.0

3 stars 0 forks source link

issues

Newest

Newest Most commented Recently updated Oldest Least commented Least recently updated

Topology issues

#18 fercofas opened 10 months ago
2
Meaning of these lines

#17 fgrunewald opened 11 months ago
1
Separate Intrachain Go from Interchain Go

#16 Lp0lp opened 11 months ago
1
New cols vector and --missres flag are conflicting

#15 sebtha opened 11 months ago
0
Ensure an itp generated w/ dssp when using the --bias_auto flag

#14 sebtha opened 11 months ago
2
Packaging the tool.

#13 Lp0lp closed 11 months ago
0
Get rid of the --Natoms flag

#12 Lp0lp opened 12 months ago
1
Adds Readme Documentation

#11 Lp0lp closed 12 months ago
0
Package this project

#10 Lp0lp opened 12 months ago
1
Modified target contact map columns from PDB resnum format to Martinize resnum format.

#9 Lp0lp closed 12 months ago
0
Adds function to automatically apply W-VS bias dependent on secondary structure.

#8 Lp0lp closed 12 months 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 12 months ago
0
Make multimers work. Add -merge.

#4 Lp0lp closed 12 months ago
3
Make it easier to add W-VS bias potentials that are not numbered consecutively.

#3 Lp0lp closed 12 months ago
2
Check other versions of the script and merge code.

#2 Lp0lp closed 12 months ago
3
Make it so that W-VS potential bias sigma matches bead size

#1 Lp0lp closed 1 year ago
1