[gmx-users] Aromatic rings not plane after minimization

[Mark Abraham]

Only if the .rtp has them for the force field you are actually using...

Mark


On Tue, Apr 15, 2014 at 4:03 PM, Pierre THEVENET <pithevenet at free.fr> wrote:

> >
> > I do not know how you do the magic connected with the topology
> > derivation, but please make sure that all needed dihedrals were
> > introduced. x2top, for instance, does not write dihedrals.
> >
> >
> To produce the topology, I use pdb2gmx, I thought it would write the proper
> dihedrals. Am I wrong?
>
> Thanks for your help.
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