Comments (2)
GenIce has geometry information of water molecules internally, but it is imprecise to use it as is in the .top file, and there is no information about interactions, constraints, etc.
On the other hand, it might be useful to give the top file to GenIce so that it can generate atomic configurations using it.
from genice.
Many thanks. Can genice2 generate stacking disordered ice?
from genice.
Related Issues (14)
- Unsuccessful installation, numpy version issue HOT 6
- cannot generate some ices. Problem with one & prism HOT 5
- [Bug] GenIce2 cannot generate some ices HOT 2
- Installation of GenIce- windows HOT 1
- Is it possible to avoid printing extra comment lines at the end of .gro file? HOT 2
- Ice XI HOT 4
- Is it possible to add the generation of ice XIV in GenIce2? HOT 2
- Missing guest molecules in sH structure HOT 5
- Ice 3 depolarization stuck HOT 2
- Missing guest molecules in filled ices HOT 7
- Problem about install Genice package_pairlist package can not be installed HOT 2
- bug:when generating 6site-ice ,the structual of water molecule is wrong HOT 2
- Coordinates Swapped When Generating Ih Gro file HOT 3
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from genice.