[gmx-developers] F_BONDS vs F_CONSTR

Vedran Miletić rivanvx at gmail.com
Wed Nov 25 14:45:16 CET 2015

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.


Vedran Miletić

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