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Isra3l
/
ligpargen
MIT License
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relax python require
#23
link89
opened
1 week ago
0
Test example failes and I can't do successfully even the simplest example
#22
iGulitch
opened
2 months ago
0
Multiple errors in file reading
#21
marcodigennaro
opened
8 months ago
6
Dihedral angles of linear groups on 5-membered rings
#20
ivokabelka
opened
9 months ago
0
input file: does not exit
#19
GDUTchenzikang
opened
1 year ago
1
BOSS 5.0 / 64 bits executable
#18
wangyida
opened
1 year ago
0
Which local version of ligpargen does the website version correspond to
#17
Lumen97
opened
1 year ago
1
Issue with charges causing nonphysical geometries
#16
wutobias
opened
1 year ago
0
OpenMM Xml atom order Improper Dihedrals
#15
wutobias
opened
1 year ago
0
Net charge is not zero due to rounding
#14
BJWiley233
closed
1 year ago
2
Cannot run charge algorithm CM1A-LBCC
#13
BJWiley233
closed
1 year ago
2
Aromatic rings warped with OPLS parametrized molecules
#12
eneas77
opened
2 years ago
0
Failure due to `Unavailable QM Choice: CM1L - Aborted`.
#11
shishaochen
closed
1 year ago
1
Unknown error for ligand
#10
eneas77
opened
2 years ago
0
Discrepancies between LigParGen server and ligpargen 2.1 in xyz/key files
#9
eneas77
closed
2 years ago
1
A error happened when running ligpargen
#8
TerryHangLyu
closed
1 year ago
8
Failing installation
#7
ricalessandri
closed
2 years ago
1
Generating parameters for water
#6
wutobias
closed
2 years ago
1
Bug fixes openmm xml files
#5
wutobias
closed
2 years ago
0
Error when processing CM1A-LBCC charges
#4
wutobias
closed
2 years ago
2
BOSS in 32 bit
#3
punkpony
closed
2 years ago
1
ligpargen running problem
#2
zhubd11
closed
2 years ago
1
CM1A-LBCC does not work
#1
librahoo
closed
2 years ago
6