I am using TIP3PBOX.
I will see the manual. Thanks
In this moment minimization is running. Until now all looks ok.
When it finish I will inform.
Regards
El abr 13, 2015 12:11 PM, "Jason Swails" <jason.swails.gmail.com> escribió:
> On Mon, Apr 13, 2015 at 1:00 PM, Carlos Romero <carlos.rom.74he.gmail.com>
> wrote:
>
> > Hi dear all.
> >
> > I have loaded frcmod.ionslrcm_cm_spce and frcmod.ionsjc_tip3p and prmtop
> > and inpcrd files were saved ok.
> >
>
> What water model are you using? Note that the divalent metal ion
> parameters
>
> in frcmod.ionslrcm_cm_spce are optimized for the SPCE water model, while
> frcmod.ionsjc_tip3p defines monovalent metal ion parameters optimized for
> TIP3P water.
>
> Make sure you load the correct ion parameters for the water model you are
> using. Note that the Amber manual has a section on specifying ion
> parameters near the beginning of the manual.
>
> HTH,
> Jason
>
> --
> Jason M. Swails
> BioMaPS,
> Rutgers University
> Postdoctoral Researcher
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>
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Received on Mon Apr 13 2015 - 10:30:09 PDT
