AMBER Archive (2006)

Subject: Re: AMBER: implicit solovent model by adjusting the parameter EXTDIEL ?

From: David A. Case (case_at_scripps.edu)
Date: Tue Sep 19 2006 - 12:29:51 CDT

On Tue, Sep 19, 2006, linfu wrote:
>
> Does amber do MD using implicit solovent model(other than water)
> just by adjusting the parameter EXTDIEL=the dielectric of other solvents
> in md.in file? however the amber force field may not be parametrized to
> other solvents.

For a very rough idea of what happens in lower dielectrics, you could change
EXTDIEL. But this has not been tested or parameterized, so you should proceed
with caution.

...dac
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