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

[ZHANG Cheng]

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