On Thu, Oct 10, 2013 at 11:35 AM, Rasha Alqus
<rasha.alqus.manchester.ac.uk>wrote:
> Dear amber users,
>
>
>
>
>
> I would like to know a method on how to add water layers so I can get the
> following
>
>
>
> [cid:67c5574c-bcca-4715-9d19-d7f436c56c48]
>
> When i use solvate box in xleap i get the following
>
>
>
> [cid:ed0f14ef-cd84-4d78-9a51-56324f8620b3]
>
> How i can solvate my A,B materials to get it as in the first figure
>
Try packmol: http://www.ime.unicamp.br/~martinez/packmol/
Amber does not have a program that can do this easily, I don't think.
HTH,
Jason
--
Jason M. Swails
BioMaPS,
Rutgers University
Postdoctoral Researcher
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Received on Thu Oct 10 2013 - 09:30:03 PDT
