Hi all, I have a system composed of DCE and Water in a 2.17x2.17x4.9800 simulation box with an dce-water interface.I want to investigate the density profile of the system, and I used the following command line to do that:
g_density -f traj.xtc -n index.ndx -dens number -sl 100 The density profile for the two types of particles looks OK except the boundaries of the simulation box. I mean I would not expect to get a number other than 0 at the lower and upper boundaries. I have also searched the mailing list. There was an e-mail similar to that one, but it was not replied. I have attached the density profile in the attachment. Why is it the case?
densityprofile
Description: Binary data
-- 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
