Thank You, sir, for your reply. I use stfcdiffusion command to calculate
MSD. I am trying to calculate the MSD of active site water. But in "avout"
(avg.dat) captains such type of distance values.
0 0.166
1 0.032
2 0.461
3 0.751
4 0.033
5 1.701
240 0.434
241 109.077
242 0.165
243 0.762
But I chose upper distance 8 Angstrom from Zn.
Thanking You
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Received on Thu Dec 21 2023 - 01:00:02 PST
