Hi, all, Following the tutorial on building biphasic system from Justin, I put the decane in a box and equilibrated it first. Then I increased the size of the box.
Then I wanted to put some CO2 molecules to make a biphasic system. When I used the following command to do that, I can only add 16 co2 molecules, which is really weird. genbox_d -cp d10_newbox.gro -cs co2.gro -o d10_solv.gro -p d104.top Resulting image can be found from the following link. https://www.dropbox.com/s/slvqfrf4gftu9al/CO2_solvent.png When I used genbox_d -cp d10_newbox.gro -cs -o d10_solv.gro -p d104.top More than 4000 water molecules were added. Could you please tell me what happened here? How to use co2 to be the solvent? Thank you very much. Best Regards, Kai -- 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
