AMBER Archive (2007)

Subject: Re: AMBER: Solvent models

From: Francesco Pietra (chiendarret_at_yahoo.com)
Date: Fri Jun 01 2007 - 02:00:36 CDT

Francois:
Thanks. As soon as I have Amber installed (I am
waiting for the CD rom) I'll try to make use of these
solvents. I assume that the web page for these
solvents will be available for any updating.
francesco

--- FyD <fyd_at_q4md-forcefieldtools.org> wrote:

> Quoting Francesco Pietra <chiendarret_at_yahoo.com>:
>
> > As to solvents, the manual informs that besides
> > several polarizable models for water,
> non-polarizable
> > models are available for:
> >
> > Chloroform
> > Methanol
> > N-Methylacetamide
> >
> > In that context, are models for other solvents
> > available?
>
> You can look in R.E.DD.B. for instance the W-46
> project
> http://q4md-forcefieldtools.org/REDDB/up/W-46/
>
> NMA, cyclohexane are also in REDDB.
>
> regards, Francois
>
>
>
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