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1 parent d661795 commit fafec4aCopy full SHA for fafec4a
README.md
@@ -18,6 +18,13 @@ count_cylinder.py -pdb em_dry.gro \
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-xtc fix_atom_c_100ps_dry.xtc -K K \
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-SF_seq THR VAL GLY TYR GLY > k_cylinder.out
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# There are two permeation events in this example
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+
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+cd ../../../03-longest_common_sequence/
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+match_xtck.py \
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+ -cylinderS 03-state-code/POT_perm_event.out \
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+ -perm_up 01-xtck/perm_up.dat \
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+ -perm_down 01-xtck/perm_down.dat
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+ # match result with xtck
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```
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The potassium permeation will be saved in `POT_perm_event.out`. Please take a look at the resident time.
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this is the time that the atom stays in the cylinder. This time should be safely smaller than the trajectory
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