On Mon, Nov 30, 2009, Rilei Yu wrote:
>
> I want to carry out distance-dependent dielectric constant minimization
> on my system. But I could not find similar operation in the tutorial,
> maybe I missed. Can anyone tell me how to carry out this step?
>
> Can I just add dielc=4r in the min.in file for that?
For sander/pmemd, look at the "dielc" and "idiel" variables in the Users'
Manual.
For NAB, look at "dielc" and "diel".
...dac
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Received on Mon Nov 30 2009 - 05:30:03 PST
