Re: [AMBER] Solvate box

From: John S <s.john634.gmail.com>
Date: Wed, 26 Jan 2011 17:39:51 -0500

Hi ,

If I use packmol to construct the box of polymer with solvent , does AMBER
work well with this.

Thanks
John

On Wed, Jan 26, 2011 at 3:04 PM, Bill Ross <ross.cgl.ucsf.edu> wrote:

> PS
>
> > It constructs the solvated sample .Is there way of controlling how many
> > molecules of solvent molecule I want to add.
>
> Maybe packmol (not in Amber) could do this, then loadpdb and setbox.
>
> Bill
>
>
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Received on Wed Jan 26 2011 - 15:00:02 PST
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