I have to create a box with given number of water molecules (spc/e) in it. So I use genbox -cs spc216.gro -maxsol n -box , with appropriate box size and n. But I observe in the out.gro that some atoms are outside the box, so How do I make genbox to keep all atoms within the box specified?
thanks sikandar
-- gmx-users mailing list gmx-users@gromacs.org http://lists.gromacs.org/mailman/listinfo/gmx-users Please search the archive at http://www.gromacs.org/search before posting! Please don't post (un)subscribe requests to the list. Use the www interface or send it to gmx-users-requ...@gromacs.org. Can't post? Read http://www.gromacs.org/mailing_lists/users.php
