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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Received on Sun Nov 12 2006 - 06:07:24 PST
