[gmx-users] residence time of water molecule and life time of hydrogen

Mark Abraham Mark.Abraham at anu.edu.au
Mon Oct 18 13:24:05 CEST 2010

  On 18/10/2010 10:15 PM, atila petrosian wrote:
> *Dear Justin*
> **
> *I read manual and specially g_hbond. but manual doesn't gime me 
> information about *
>   residence time of water molecule and life time of hydrogen.
In your reading, did you see that g_hbond has a -life option? Did you 
try this?

Regarding "residence time of a water molecule", you should make yourself 
aware of how one might calculate the quantity for your simulation, and 
then see if a GROMACS tool does something useful to that end. If you 
need help, please be very specific about what you're trying to calculate 
- people who might give free help are not interested in spending their 
valuable time guessing what it is you actually want. :-)

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