m3g packmol issues - Githubissues

m3g / packmol

Packmol - Initial configurations for molecular dynamics simulations

http://m3g.github.io/packmol

MIT License

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issues

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Couple minimum distance

#26 matteo-northvolt closed 3 years ago
2
problem opening file with full path in MacOS and server

#25 lmiq closed 1 year 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 4 years ago
1
Sphere with holes ?

#22 CharlyEmpereurmot closed 4 years ago
4
Add description of installation

#21 dejac001 closed 4 years ago
2
CHARMM crd format enabled

#20 anmolecule closed 4 years ago
0
Modified the solvate script to include atom element.

#19 william-dawson closed 4 years ago
0
Update CMakeLists.txt for optimisation and cross-platform

#18 anjohan closed 5 years ago
0
XYgauss surface

#17 SSchott closed 1 year ago
6
Regarding system setup in circular form from Packmol

#16 cy16f01 closed 5 years ago
1
Parallel implementation

#15 darismendi closed 6 years ago
3
Doc update

#14 HaoZeke closed 6 years ago
0
Max number of atoms

#13 mikemhenry closed 6 years ago
8
Adds missing installation target directory to CMake compile script

#12 susilehtola closed 6 years ago
0
Add CMake support.

#11 susilehtola closed 6 years ago
6
nloop_all

#10 SSchott closed 6 years ago
3
Refactor makefile

#9 t3rodrig closed 6 years ago
2
Licensing under more permissive license?

#8 davidlmobley closed 7 years ago
7
number 0 not working

#7 z-gong closed 7 years ago
1
Conda-installable?

#6 davidlmobley closed 2 years ago
8
Build failure with gfortran 7.1

#5 jonchang closed 7 years ago
2
Undefined symbol errors for "_ibox_to_ijk_" and "_ijk_to_ibox_"

#4 ilovezfs closed 7 years ago
1
Add a gitignore file

#3 t3rodrig closed 7 years ago
0
Compiling on linux with maxatom in the millions

#2 tylerjereddy closed 8 years ago
5
Substring out of bounds issues

#1 IanH0073 closed 8 years ago
2