[gmx-users] g_sas problem

Mark Abraham Mark.Abraham at anu.edu.au
Tue Oct 30 15:59:54 CET 2007

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.


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