Quoting Francesco Pietra <chiendarret.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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Received on Sun Jun 03 2007 - 06:07:28 PDT
