Hi, .snip...
> No, because that's not a well-defined proposition. You could generate a > small box with one solute +solvent, and then use *genbox* to replicate it. genconf, rather than genbox: genconf -f in.gro -o out.gro -nbox nx ny nz with suitable nx, ny and nz for nx*ny*nz copies. Unfortunately cbrt(20) will not do :p 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://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
