VMD-L Mailing List
From: M K (mahyar.karimi20_at_gmail.com)
Date: Fri Apr 03 2015 - 02:49:45 CDT
Thank you for your resources.
Actually, I have already read about the residence probability as well as
the autocorrelation function to study the dynamic properties of the system.
I am trying to implement this concept and the corresponding code to my
Any related code is appreciated.
On Fri, Apr 3, 2015 at 6:28 PM, Arash Azari <arashazari.temp_at_gmail.com>
> Hi Mahyar,
> Here you can find the definition of residence time (you can find other
> definitions as well) :
> R. Impey, P. Madden, and I. McDonald, The Journal of Physical Chemistry
> 87, 5071 (1983)
> For survival probability:
> D. Rapaport, Molecular Physics 50, 1151 (1983)
> Hope this helps,
> On Thu, Apr 2, 2015 at 8:38 AM, M K <mahyar.karimi20_at_gmail.com> wrote:
>> Does anyone know how I can calculate the residence time of water
>> molecules in the first hydration layer of a solvated molecule, protein, or
>> Thank you.