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fgrunewald
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Martini_PolyPly
Tool for generating MARTINI Polymer itps and structures
GNU General Public License v3.0
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Construction of large DNA segments
#21
LHRK
opened
2 years ago
1
Implement global constraints
#20
fgrunewald
opened
4 years ago
0
Structure generation error?
#19
nmichelas
closed
5 years ago
8
Error if no endgroups specified
#18
dkozuch
closed
5 years ago
2
pairs of end-groups are not counted correctly
#17
fgrunewald
closed
4 years ago
1
Wrong counting in itp in case of triblockcopolymers
#16
fgrunewald
closed
4 years ago
1
electrostatics and cut-off implemented
#15
fgrunewald
closed
6 years ago
0
Martini Polyelectrolytes
#14
martinvoegele
closed
6 years ago
13
Make PolyPly installable with pip
#13
jbarnoud
closed
6 years ago
1
Conflict based minimisation - new structure tool
#12
fgrunewald
closed
6 years ago
0
Missing Atoms when using the internal block-copolymer function
#11
fgrunewald
closed
6 years ago
3
add more tests for block-copolymers and endgroups
#10
fgrunewald
opened
6 years ago
0
Add installer routine
#9
fgrunewald
closed
6 years ago
1
put explicit warning for false itp formats
#8
fgrunewald
closed
6 years ago
1
Use latest OpenMM for MD functionalities
#7
fgrunewald
closed
6 years ago
1
Allow for CPP preprocessor variables
#6
fgrunewald
closed
6 years ago
1
Have function specific formatting
#5
fgrunewald
closed
6 years ago
0
Allow for custom connectors
#4
fgrunewald
closed
6 years ago
2
Dictbased
#3
fgrunewald
closed
6 years ago
0
Allow for comments on same line as parameters to be read in from topology and itp files
#2
fgrunewald
closed
6 years ago
0
Enable possibility for directly referencing of the itp files from package directory through -itp option
#1
fgrunewald
closed
6 years ago
1