[gmx-users] g_sas problem
Mark.Abraham at anu.edu.au
Tue Oct 30 15:59:54 CET 2007
> 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.
More information about the gromacs.org_gmx-users