|
Run#
|
Run Name
|
Total time (ns)
|
Restrained (Yes/No)
|
Initial structure
|
|---|
|
1
|
MD1μs
a
|
1000
|
No
|
inactive crystal structure, 2RH1
|
|
2
|
MD1μs_cont1
|
500
|
No
|
last frame of Run #1
|
|
3
|
MD1μs_cont2
|
500
|
No
|
last frame of Run #1
|
|
4
|
rstr1
|
500
|
Yes
|
initial frame of Run #1
|
|
5
|
rstr2
|
500
|
Yes
|
initial frame of Run #1
|
|
6
|
rstr3
|
500
|
Yes
|
frame @ 470th ns of Run #1
|
|
7
|
rstr4
|
500
|
Yes
|
frame @ 470th ns of Run #1
|
|
8
|
MD500ns
|
500
|
No
|
last frame of Run #7 (rstr4)
|
|
9
|
rstr5
|
500
|
Yes
|
last frame of Run #1
|
-
aThis run was performed prior to this work in Ozcan’s study [6]. The remaining runs #2 through #10 were based on the same system created for run #1
