AMBER Archive (2008)

Subject: Re: AMBER: organic solvents

From: Mark Williamson (mjw_at_sdsc.edu)
Date: Fri Nov 14 2008 - 17:28:10 CST

Marcelo Puiatti wrote:
> Hi all
>
> I´m trying to perform some simulations in different organic solvents,
> such as acetonitrile and DMSO.
> Is there any database of organic solvents for using in MD simulations?

Dalmaris has as DMSO model for AMBER here:

http://personalpages.manchester.ac.uk/staff/Richard.Bryce/amber/index.html

regards,

Mark
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