Dear All, I was trying create a box (cubic 10 10 10) of water. I am a bit surprised by looking at the density deferences between spc216 and tip4p water models. I am giving the brief output below.
genbox -cs tip4p.gro -box 10 10 10 Output configuration contains 131540 atoms in 32885 residues Volume : 1000 (nm^3) Density : 1639.65 (g/l) Number of SOL molecules: 32885 genbox -cs spc2i6.gro -box 10 10 10 Output configuration contains 99678 atoms in 33226 residues Volume : 1000 (nm^3) Density : 993.966 (g/l) Number of SOL molecules: 33226 What would be the reason for this drastic differences in density? How can I make it into 1000 (g/l) by using above command. Thanks in advance. Regards Chandu _______________________________________________ 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 [EMAIL PROTECTED] Can't post? Read http://www.gromacs.org/mailing_lists/users.php
