Re: [gmx-users] Mass fraction

2012-02-02 Thread Mark Abraham
On 3/02/2012 12:51 AM, Steven Neumann wrote: Dear Gmx Users, My system consists of Protein attached to the surface (water solution) I am trying to calculate equilibrium distance - dependent (from my surface) distributions of residues (e.g. polar) in my system collected in the mass fraction. So

[gmx-users] Mass fraction

2012-02-02 Thread Steven Neumann
Dear Gmx Users, My system consists of Protein attached to the surface (water solution) I am trying to calculate equilibrium distance - dependent (from my surface) distributions of residues (e.g. polar) in my system collected in the mass fraction. So in this case I am interested in only one coordin