Re: [gmx-users] Radial density calculation

2013-04-02 Thread Venkat Reddy
Thank you sir for the nice suggestion On Wed, Apr 3, 2013 at 9:58 AM, Dallas Warren wrote: > Just calculate the radial distribution function from particle-to-particle. > > You can then integrate that probability to get a mass density at a given > radius, using the average overall system density.

RE: [gmx-users] Radial density calculation

2013-04-02 Thread Dallas Warren
Just calculate the radial distribution function from particle-to-particle. You can then integrate that probability to get a mass density at a given radius, using the average overall system density. Catch ya, Dr. Dallas Warren Drug Discovery Biology Monash Institute of Pharmaceutical Sciences, M

[gmx-users] Radial density calculation

2013-04-01 Thread Venkat Reddy
Dear gmx-users, I would like to calculate radial density plot (not rdf plot) for my heterogeneous droplet system. I need distance on the X-axis and density (g/ml) on the Y-axis for each constituent of my droplet. I would much appreciate if some one could help me in this regard. Thank you for your