[gmx-users] simulations using structureless surface

Mark Abraham Mark.Abraham at anu.edu.au
Wed Jul 25 15:53:40 CEST 2007

singh wrote:
> Dear Gromacs users,
> I want to simulate water in slit like pores where the pore surface can 
> be represented by a plane in z direction, interacting with water 
> molecules using 9-3 potential (or any other) but rather than using 
> particles in the surface and thus the distances between particles in the 
> surface and water, I want to use only the distance between water and 
> surface in z direction only (a structure less surface). In the mailing 
> list , I found some reference to the -glass option in mdrun but not much 
> information is available regarding it except that it is only for special 
> long range corrections.   I would like to know the possibilities of 
> simulating such systems using gromacs.

Please use one idea per sentence and describe fully what you're trying 
to do.


More information about the gromacs.org_gmx-users mailing list