Probably you can use g_rdf -surf to get the surface based g(r) for water
molecules, since g(r) is the local_density divided by the average_density, then
local_density=g(r)_surf*average_density, which is a function of distance from
the surface.
Jianguo
________________________________
From: Yao Yao <ya...@ymail.com>
To: "gmx-users@gromacs.org" <gmx-users@gromacs.org>
Sent: Thursday, 16 February 2012, 3:01
Subject: [gmx-users] Water Shell Density
Hi Gmxers,
Is there a way to calculate the density of water in a protein hydration layer,
like from 5 A to 10 A (radius) from the protein surface?
Thanks,
Yao
--
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
--
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
--
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
