Hello,
Thank you Prof. Lennart. However I still have questions.
I've looked at the summary section and I've found something like this:
I-atom J-atom <occupancy> <time> # events
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PROT SER 2 HN - PROT SER 2 O 0.44 18.3 6
PROT SER 2 O - PROT SER 2 HN 0.44 18.3 6
PROT SER 2 O - PROT GLY 4 HN 0.06 7.5 2
PROT SER 2 O - PROT ILE 5 HN 0.28 7.8 9
PROT SER 2 O Summary: 0.78 11.2 17
PROT GLY 4 HN - PROT SER 2 O 0.06 7.5 2
PROT GLY 4 O - PROT LYS 56 HN 1.00 250.0 1
PROT GLY 4 O - PROT THR 57 HN 0.98 122.5 2
PROT GLY 4 O Summary: 1.98 186.2 3
PROT ILE 5 HN - PROT SER 2 O 0.28 7.8 9
PROT ILE 5 O - PROT VAL 24 HN 0.08 5.0 4
PROT TRP 6 HN - PROT TRP 6 O 0.10 5.0 5
PROT TRP 6 HN - PROT THR 57 O 1.00 250.0 1
PROT TRP 6 HN Summary: 1.10 127.5 6
My questions are:
1. what's the meaning of time and events? Are the time and event refer to the duration of h-bond (ps) and a numbers of time that we can find this h-bond, respectively? And what's the maximum value of "summary of occupancy" per residue?
2. In the last section of this summary, I've found:
OVERALL
Average number (over ISEL!)= 0.6
<lifetime>= 83.52ps
Total number/frame= 175.3
Is the "lifetime" refer to the total lifetime or what?
Thanks in advance.
