[gmx-users] Water surface tension - wall settings?

Steven Neumann s.neumann08 at gmail.com
Fri Mar 8 11:44:37 CET 2013


Dear Gmx Users,

I am trying to reproduce surface tension of TIP4P water model. For
this purpose I create cubic box (3x3x3 nm) and place water inside. I
minimize the energy.
Then I extend my box in Z coordinate up to 10 nm. And I want to use 2
walls in my system at z=0 and z=z-box. In papers they never mention
about walls density, wall atom types or used wall type (9-3, 10-4 or
12-6). What settings would be the best for the water system?
Please, help.

Steven



More information about the gromacs.org_gmx-users mailing list