[gmx-developers] F_BONDS vs F_CONSTR

[Vedran Miletić]

2015-11-25 14:35 GMT+01:00 Berk Hess <hess at kth.se>:
> I don't understand what you mean with "same data". In your particular case
> maybe yes.
> The user can manually enter bonds and/or constaints in the topology.
> In the common case of using pdb2gmx with common forcefields, the constraints
> option can switch all or part or (h-bonds) the bonds to constraints, as Mark
> wrote.
>
> Berk

Right, I am using pdb2gmx here. Thanks for the clarification.

Regards,
Vedran

-- 
Vedran Miletić
http://vedranmileti.ch/