Thank you for your advice,I have find define=-DPOSRE in my pr.mdp file,
but I don't know which parameter indicate isotropic force constant of
100kjmol-1A-1. Though I use ref_t=300 for my simulation.
> > > Dear users:
> > > I have a position restrain .mdp file need to set,I use 300K
> >
>
> Thank you for your advice,I have find define=-DPOSRE in my pr.mdp file,
> but I don't know which parameter indicate isotropic force constant of
> 100kjmol-1A-1.
Have a look at the posre.itp file, and the contents of Table 5.4 in
Chapter 5, and preferably the whole of that chapter.
> Thoug
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