Re: [AMBER] solvation box

From: Bill Ross <>
Date: Thu, 9 Nov 2017 02:02:55 -0800

Maybe packmol has a way to do it? It has a good reputation and a really
apropos name, if not, look at leap's solvatebox cmd.


On 11/9/17 1:32 AM, Shilpa Gupta wrote:
> Dear Amber Users,
> I want to simulate the molecular dynamics simulations of the dendrimer in
> the presence of [bmim][cl] ionic liquid. For this i have generated
> [bmim][cl] box using packmol and equilibrated the box. How do i solvate the
> dendrimer molecule using this box. Or is there another way to generate the
> initial solvated structure of the dendrimer. Thanks in advance.
> Shilpa Gupta
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Received on Thu Nov 09 2017 - 02:30:02 PST
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