Hi all I also faced a similar problem like Ozge Engi when i used the g_density command for water-DCE interface. when i saw the final .gro file in VMD i saw some 20-25 molecules of water came on one side (end of DCE side) of the box and few molecules of DCE say 5 molecules on the end of water side. i have attached the graph that i got. what is the problem due to? why are we not getting the density profile starting from zero on both side of the box? any help is highly appreciated.
Regards Vinoth On Mon, Oct 25, 2010 at 4:36 PM, Tsjerk Wassenaar <tsje...@gmail.com> wrote: > Hi, > > > You're not > > seeing complete mixing of your two species, but there is some diffusion > > between the phases, otherwise both of your particles should drop to > exactly > > zero density on either side of the box middle, wouldn't they? > > No, not if there are undulations of the interface. > > Cheers, > > Tsjerk > > -- > Tsjerk A. Wassenaar, Ph.D. > > post-doctoral researcher > Molecular Dynamics Group > * Groningen Institute for Biomolecular Research and Biotechnology > * Zernike Institute for Advanced Materials > University of Groningen > The Netherlands > -- > gmx-users mailing list gmx-users@gromacs.org > 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 gmx-users-requ...@gromacs.org. > Can't post? Read http://www.gromacs.org/Support/Mailing_Lists >
densityprofile
Description: Binary data
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