Hi I inserted 20 copies of a solute molecule into a box. Some of the molecules are partly sticking out of the box. I would like to solvate this box. However, I read that one of the known issues with gmx solvate is that "molecules must be whole in the initial configurations." So, is it okay if the solute molecules are sticking out of the box when using gmx solvate?
Thanks in advance, Annu. -- 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.
