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fgrunewald
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fast_forward
Map atomistic trajectories to CG Martini level fast and compute interactions
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PROBLEM
#26
Abolfazllinuxx
opened
4 weeks ago
0
Update setup.cfg
#25
lgruenewald
closed
3 months ago
0
Outdated dependencies make fast_forward difficult to install
#24
lgruenewald
closed
3 months ago
0
Sign problem of angles
#23
jan-stevens
closed
8 months ago
1
Update mapping.py
#22
fgrunewald
opened
10 months ago
0
Output overwrites exisiting files
#21
lgruenewald
opened
1 year ago
0
Map dir
#20
csbrasnett
closed
1 year ago
0
Mapping vs map
#19
csbrasnett
closed
1 year ago
2
Reading in mapping files vs. directory of .map files
#18
csbrasnett
closed
1 year ago
3
Overlapping mappings between residues
#17
csbrasnett
opened
1 year ago
0
Raise Error if no coordinates are selected
#16
fgrunewald
opened
2 years ago
1
Revert "PBC"
#15
fgrunewald
closed
2 years ago
0
PBC
#14
Tsjerk
closed
2 years ago
9
Water mapping
#13
fgrunewald
opened
2 years ago
0
tests needed
#12
fgrunewald
opened
2 years ago
0
PBC completion super slow
#11
fgrunewald
opened
2 years ago
4
Update ff_map
#10
fgrunewald
closed
2 years ago
0
Single resname gives error
#9
fgrunewald
opened
2 years ago
0
Resid 0
#8
fgrunewald
opened
2 years ago
0
Mols
#7
fgrunewald
closed
2 years ago
0
Angle potential parameters with etropic correction
#6
jmelcr
closed
2 years ago
5
small update to main Readme and add check for resid=0 in CG-itp
#5
jmelcr
closed
2 years ago
2
Res mapping
#4
fgrunewald
closed
2 years ago
0
Interaction Class iter should skip unkown interaction types
#3
fgrunewald
closed
2 years ago
0
Dihedral timeseries not computed
#2
fgrunewald
closed
2 years ago
0
Support for melt systems
#1
fgrunewald
closed
2 years ago
0