Function type in [ bonds ] directive

User discussions
1

GROMACS version: Any
GROMACS modification: No

Hi,
Where can I find a detailed description of the type of functions that can be used in the [ bonds ] directive?

2

Hi!

Here’s the list of all recognized bonded function types: https://manual.gromacs.org/current/reference-manual/topologies/topology-file-formats.html#id36

Here are detailed description of the most common ones: https://manual.gromacs.org/current/reference-manual/functions/bonded-interactions.html

And here are the implementations: the new one (nblib) and the old one.

3

Thank you! The first link is exactly what I was looking for.