AMBER Archive (2006)

Subject: Re: AMBER: Implicit Water - Force field parameters

From: Fenghui Fan (fenghui_fan_at_yahoo.com)
Date: Tue Sep 05 2006 - 15:16:37 CDT

I tink they are different. The TIP3P water model is
used in the explicit MD>

Best regards.

Fenghui Fan

--- Ramdas Pophale <ramdas.pophale_at_gmail.com> wrote:

> Hello friends,
>
> I am contemplating using amber94 force field for
> simulations of cyclic
> peptides. It is an implicit solvent simulation where
> solvent effects are
> taken into consideration through GB-SASA models.
> Since the parameter files
> mention about TIP3P water model, does it mean the
> parameters are not
> optimized (hence not a good choice) for the implicit
> solvent model? If
> that's the case, could anyone suggest an alternative
> within or (without)
> Amber? Thanks for your time.
>
> Regards,
>
> Ramdas Pophale.
>

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