Dears, I'm generating a box filled with NO3 molecules using Gromacs 3.3:
genbox -ci molecule.gro -p molecule.top -o bigbox.gro -box 4.0 4.0 4.0 -nmol 800 -vdwd 0.2 The file bigbox.gro is generated but molecules are entangled. This makes the geometry optimization to remove close contact impossible. Any suggestions? Thanks, Adama Adama Tandia, Corning INC, SP-TD-01-01 Corning NY 14831 USA, Tel: 607 248 1036 -GoogleVoice: 708 433 9430 -- 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
