[gmx-users] How to put excipients into the simulation box?
mark.j.abraham at gmail.com
Sun Apr 9 19:03:07 CEST 2017
Using gmx insert-molecules before you solvate is a useful friend here.
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
> I wonder if excipients can also be added similarly as Na+ and Cl-?
> Thank you.
> Yours sincerely
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