Ok dear Jason.
Thanks a lot again
El abr 13, 2015 12:26 PM, "Jason Swails" <jason.swails.gmail.com> escribió:
> On Mon, Apr 13, 2015 at 1:23 PM, Carlos Romero <carlos.rom.74he.gmail.com>
> wrote:
>
> > I am using TIP3PBOX.
> >
> > I will see the manual. Thanks
> >
> > In this moment minimization is running. Until now all looks ok.
> >
>
> If you are using TIP3P, then you need to switch to
> frcmod.ionslcrm_cm_tip3p (rather than the SPCE variant). Not doing so will
> not make your simulation fail, but you will be using suboptimal parameters.
>
> --
> Jason M. Swails
> BioMaPS,
> Rutgers University
> Postdoctoral Researcher
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Received on Mon Apr 13 2015 - 10:30:11 PDT
