Good day, I want to simulate my protein in gromacs and in this simulation I need to add a certain concentration of CA ions to my system. However, I have no idea about how to do this so first I have to neutralize my system and then need to add the needed CA ions which act as binding agents* (necessary factor in experiments) *in my protein. I have heard that with -neutral and -conc for adding the certain concentration I can do this thing. I would appreciate it if somebody can help me with this issue.
Thanks. -- *Iman Katouzian* *Ph.D.** candidate of Food Process Engineering* *Faculty of Food Science and Technology* *University of Agricultural Sciences and Natural Resources, Gorgan, Iran* -- 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.
