[gmx-users] How to put excipients into the simulation box?

[Mark Abraham]

Hi,

Using gmx insert-molecules before you solvate is a useful friend here.

Mark

On Sun, 9 Apr 2017 17:58 ZHANG Cheng <272699575 at qq.com> wrote:

> Dear Gromacs Researchers,
> Can I ask how to put excipients (e.g. sucrose, trehalose) into the
> simulation box together with protein, salt and water?  Those excipients do
> not strongly interact with proteins, so they could not be treated as
> protein-ligand complex.
>
>
> I learned how to prepare the protein-salt-water system by Justin's
> tutorial.
>
> http://www.bevanlab.biochem.vt.edu/Pages/Personal/justin/gmx-tutorials/lysozyme/index.html
>
>
> I wonder if excipients can also be added similarly as Na+ and Cl-?
>
>
> Thank you.
>
>
> Yours sincerely
> Cheng
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