Auto correlation function for water molecules in a box

  • Thread starter vjramana
  • Start date
  • #1
15
0
I have simulated a box water molecules (1500 water molecules) using molecular dynamics method in NpT ensemble.

I got the time auto-correlation function (C(t) vs t, time) where its function line is parallel to x-axis. Which means the C(t) is zero.

I understand the water molecules are freely move around. Meaning they move randomly. There is no specific order or patters where the water molecules hold during its movement and get it lost after some time. And this is the reason the C(t) is zero.

I appreciate if anyone has better explanation for this result hope you can share so that I could expand my understanding.

Many thanks in advance.
Regards.
 

Answers and Replies

Related Threads on Auto correlation function for water molecules in a box

  • Last Post
Replies
0
Views
2K
  • Last Post
Replies
12
Views
2K
Replies
0
Views
2K
Replies
2
Views
829
  • Last Post
Replies
1
Views
3K
Replies
1
Views
2K
  • Last Post
Replies
4
Views
2K
  • Last Post
Replies
3
Views
38K
Replies
7
Views
11K
Top