tangxuan wrote:
Yes, the default value of -pbc is 'yes'. I did not add it in my command,
but i think pbc should has been considered. It seems there is no
contact between the two subunits, but at some specific time the total
ASA of interaction region is very high(shown below).
time total SAS of interaction region
15936 1.16099999999997
15937 1.09100000000004
15938 86.954
Have a look at your trajectory to see what the structures are doing here.
Mark
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