Hello, I used genbox (version 3.3.1 and 3.3.2) to create a 1nm box of SPC, TIP4P and TIP5P water with " genbox -cs <water model>.gro -box 1 1 1". The TIP5P box contains half the number of water molecules compared to TIP4P and SPC. SPC: 33 SOL molecules, density=987.205 (g/l) TIP4P: 31 SOL molecules TIP5P: 15 SOL molecules
Can anyone please explain this? How do I get genbox to create a box with the right number of TIP5P water molecules. Thanks, JW -- Jianwen A Feng Center for Computational Biology Washington University in St. Louis _______________________________________________ gmx-users mailing list [email protected] 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 [EMAIL PROTECTED] Can't post? Read http://www.gromacs.org/mailing_lists/users.php
