[gmx-users] Topology file

[Mahdi Sobati Nezhad]

Thanks rose. Can you tell me more about which cases I should use position
restrictions?!
Thanks

On Fri, 5 Oct 2018 10:33 rose rahmani, <rose.rhmn93 at gmail.com> wrote:

> Hi,
>
> It depends on you, wheter you want to put position restriction on your
> molecule you should add posre.itp to topol.top or not.
> But whenever you use define=-DPOSRES in your .mdp file, GROMACS can read
> posre.itp files in topol.top an apply position restriction to molecule.
>
> Rose
>
> On Fri, 5 Oct 2018, 02:24 Mahdi Sobati Nezhad, <
> mahdisobatinezhad at gmail.com>
> wrote:
>
> > Hello Gromacs users.
> > When I use pdb2gmx the Gromacs make pores.itp but in my topol.top there
> is
> > no any porse.itp
> > What can I do?!
> > Do it's important that porse.itp should be in topol.top or its enough
> that
> > pdb2gmx make porse.itp?!
> >
> > Thanks
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