Hi all, I would like to add 484 water molecules into the box using command:
genbox -cp newbox.gro -cs tip4p.gro -maxsol 484 -p topol.top -o solvated.gro What I expected is those water molecules would be randomly inserted into the box and the box should appear homogeneous. But the result disappointed me. Throught VMD, I found that the 484 water molecues was inserted almost in one half of the box. Then when I added more water molecules, they began to occupy the other half box. So what could I do to make the inserted 484 water molecules randomly positioned in the box in the beginning? Your advice would be highly appreciated. Zhikun -- gmx-users mailing list [email protected] http://lists.gromacs.org/mailman/listinfo/gmx-users * Please search the archive at http://www.gromacs.org/Support/Mailing_Lists/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/Support/Mailing_Lists
