I can't help with this, other than suggest changing the buffer, but I
wanted to point out that unless your concentration units are molality
the number of water molecuels doesn't matter. For more typical units
of molarity, it is the box volume that counts.
On Wed, Jan 26, 2011 at 2:31 PM, John S <s.john634.gmail.com> wrote:
> Dear Amber Users,
>
> When I use xleap solvatebox
>
> solvatebox x TIP3PBOX {5 5 5}
>
> It constructs the solvated sample .Is there way of controlling how many
> molecules of solvent molecule I want to add.
>
> Since I desire to construct a sample with specific concentration so when I
> calculate it provides me with a specific number of solvent molecules.
>
> Please let me know your suggestions.
>
> Thanks
> John
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Received on Wed Jan 26 2011 - 12:00:03 PST
