[gmx-users] all-bonds

[Mark Abraham]

Enemark Soeren wrote:
> Dear GMX-users,
> 
> Is it possible to exclude a group of atoms or molecules from having 
> their bonds converted to constraints when using the all-bonds mdp-option?

Not automatically, but you can edit the topology manually to specify [ 
constraints ] instead of [ bonds ] for those bonds you wish to be 
constraints. See chapter 5 for detail.

Mark