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m3g
/
packmol
Packmol - Initial configurations for molecular dynamics simulations
http://m3g.github.io/packmol
MIT License
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48
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Packmol Version 20.11.0 segfaults on Linux but not on Mac
#70
tfhughes
closed
1 month ago
2
`use_short_tol` works on Linux and MacOS, but not on Windows
#69
chrisjonesBSU
closed
1 month ago
2
regression in packmol-memgen 2024.2.9
#68
xiki-tempula
closed
1 month ago
4
Oblong protein > create box dimensions similar to Amber's TIP3PBox iso command?
#67
ONISniperOne
closed
2 months ago
7
Using atom radii property to tailor parts of molecules that can overlap
#66
tfhughes
closed
2 months ago
4
Could not read restart file
#65
manuelperezesc
opened
2 months ago
5
Successful packing - Chimera/ChimeraX bad PDB record
#64
ONISniperOne
closed
2 months ago
6
Output pdb from packmol has rings speared by bonds from other molecules
#63
tfhughes
closed
2 months ago
8
parallel optimization using OPENMP
#62
alphataubio
opened
2 months ago
6
make: *** [all] Error 1
#61
Chensons
closed
2 months ago
4
Creating system with receptor + ligand and water as solvent mix... Duplicate atom serial & max # bonds exceeded errors
#60
ONISniperOne
closed
2 months ago
3
why there is no packmol.exe in the zip?
#59
chen-cheng1
closed
6 months ago
2
Co-solvent MD with Packmol
#58
H-EKE
closed
7 months ago
1
Release 20.14.3
#57
lmiq
closed
7 months ago
0
"FORCED" output overwrites standard output
#56
SSchott
closed
7 months ago
2
<< Filling atom ring from the center >>
#55
icamps
closed
7 months ago
3
SIGILL error when trying to use packmol in Docker container
#54
alexhroom
opened
10 months ago
15
Mac Installation Error
#53
ekwan
closed
11 months ago
3
Is there any plan to bind packmol with python?
#52
Roy-Kid
closed
11 months ago
4
Removes existing TER records from AMBER formatted lipid pdb
#51
fr-0zt
closed
1 year ago
4
<< Using a cylinder region from a nanotube >>
#50
icamps
closed
1 year ago
4
conda version outdated?
#49
dspoel
closed
10 months ago
1
Add amber_ter_preserve for mobile molecule types
#48
SSchott
closed
1 year ago
1
<< Web page not working >>
#47
icamps
closed
1 year ago
4
Capture of floating point exception
#46
SSchott
closed
1 year ago
0
add Xygauss surface
#45
lmiq
closed
1 year ago
11
fpm installation instructions
#44
fedebenelli
closed
1 year ago
0
FPM support
#43
lmiq
closed
1 year ago
3
ci: add gcc-12 support and update ci runners
#42
chenrui333
closed
1 year ago
0
Fortran-Package-Manager compatiblity
#41
fedebenelli
closed
1 year ago
3
Packing, Saving intermediate PDB files
#40
stippner
closed
1 year ago
1
fix: fix compilation reference missing issue
#39
chenrui333
closed
1 year ago
4
Add github actions
#38
afonari
closed
1 year ago
3
Fix versioning scheme
#37
susilehtola
closed
1 year ago
5
20.4.0 fails to build with cmake: No such file exit_codes.mod
#36
drew-parsons
closed
1 year ago
1
PDB handling issue
#35
Kr0n0ss
closed
1 year ago
4
Return non-zero exit codes on packmol failure
#34
afonari
closed
1 year ago
1
Input file is having 'CONECT' fields still CONECT fields are missing in the output file. Also when using connect option it cannot recognise the keyword connect.
#33
divysharma007
closed
1 year ago
2
packmol dependence on libgfortran3?
#32
pmqn
closed
1 year ago
6
add topic
#31
Beliavsky
closed
2 years ago
1
Non reproducible system initialization for PACKMOL compiled for different operating systems
#30
jennyfothergill
closed
2 years ago
7
Errors with long filename/path
#29
taidbui
closed
2 years ago
3
packmol returns exit code 0 even when errors
#28
rkingsbury
closed
1 year ago
7
packmol cannot handle paths with spaces
#27
rkingsbury
closed
2 years ago
3
Couple minimum distance
#26
matteo-northvolt
closed
2 years ago
2
problem opening file with full path in MacOS and server
#25
lmiq
closed
10 months ago
1
packing molecules in a hexagonal unit cell
#24
goodwilling
closed
3 years ago
4
Write CONECT records in output PDB files?
#23
jchodera
closed
3 years ago
1
Sphere with holes ?
#22
CharlyEmpereurmot
closed
4 years ago
4
Add description of installation
#21
dejac001
closed
4 years ago
2
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