[gmx-users] Radial density calculation

Venkat Reddy venkat4bt at gmail.com
Wed Apr 3 07:21:49 CEST 2013


Thank you sir for the nice suggestion


On Wed, Apr 3, 2013 at 9:58 AM, Dallas Warren <Dallas.Warren at monash.edu>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.
>
> Catch ya,
>
> Dr. Dallas Warren
> Drug Discovery Biology
> Monash Institute of Pharmaceutical Sciences, Monash University
> 381 Royal Parade, Parkville VIC 3052
> dallas.warren at monash.edu
> +61 3 9903 9304
> ---------------------------------
> When the only tool you own is a hammer, every problem begins to resemble a
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-- 
With Best Wishes
Venkat Reddy Chirasani
PhD student
Laboratory of Computational Biophysics
Department of Biotechnology
IIT Madras
Chennai
INDIA-600036



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