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 -- Gromacs Users mailing list * Please search the archive at http://www.gromacs.org/Support/Mailing_Lists/GMX-Users_List before posting! * Can't post? Read http://www.gromacs.org/Support/Mailing_Lists * For (un)subscribe requests visit https://maillist.sys.kth.se/mailman/listinfo/gromacs.org_gmx-users or send a mail to gmx-users-requ...@gromacs.org.
