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

From: David A. Case <>
Date: Tue, 19 Sep 2006 10:29:51 -0700

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 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.

The AMBER Mail Reflector
To post, send mail to
To unsubscribe, send "unsubscribe amber" to
Received on Wed Sep 20 2006 - 06:07:20 PDT
Custom Search