Hi, > The first thing that you need to do is to use editconf to increase your box > z and then genbox to add more solvent. My script (and C-program) do not do > this, they focus only on removing waters that are placed within your > bilayer.
Of course it is also trivial to edit the .gro file and change the third number in the last line, that indicates the z-dimension. For a .pdb file, it's the the third number in the line starting with CRYST1. Cheers, Tsjerk -- Tsjerk A. Wassenaar, Ph.D. Junior UD (post-doc) Biomolecular NMR, Bijvoet Center Utrecht University Padualaan 8 3584 CH Utrecht The Netherlands P: +31-30-2539931 F: +31-30-2537623 _______________________________________________ gmx-users mailing list gmx-users@gromacs.org http://www.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
