Hi all,
I want to run an MD simulation in presence of 20mM Sodium Citrate buffer at pH4.5 . How would I go about adding this buffer to the simulation box? I have tried adding it in the same way as counter-ions but it did not work. I am aware of the gmx insert molecules command but I'm not sure whether I need a buffer topology file for this? Akash -- 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.
