AMBER Archive (2006)

Subject: Re: AMBER: saltconc for explicit solvent calculation.

From: David A. Case (case_at_scripps.edu)
Date: Thu Nov 09 2006 - 12:13:05 CST

On Fri, Nov 10, 2006, a a wrote:
>
> Could you mind to let me know if I can still use the "saltconc=1 M" command
> in the MD calculations when I am doing explicit solvent calculations?

No. Explicit solvation also implies explicit ions. Look at the addIons
command in LEaP for examples of how to set this up.

...good luck...dac

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