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add example for matching result with xtck
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Chenggong committed Jun 1, 2023
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Expand Up @@ -18,6 +18,13 @@ count_cylinder.py -pdb em_dry.gro \
-xtc fix_atom_c_100ps_dry.xtc -K K \
-SF_seq THR VAL GLY TYR GLY > k_cylinder.out
# There are two permeation events in this example

cd ../../../03-longest_common_sequence/
match_xtck.py \
-cylinderS 03-state-code/POT_perm_event.out \
-perm_up 01-xtck/perm_up.dat \
-perm_down 01-xtck/perm_down.dat
# match result with xtck
```
The potassium permeation will be saved in `POT_perm_event.out`. Please take a look at the resident time.
this is the time that the atom stays in the cylinder. This time should be safely smaller than the trajectory
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