[gmx-users] g_sas and PBC

Gurpreet Singh singh at biophysik.chemie.uni-dortmund.de
Sat May 24 13:48:16 CEST 2008


Dear Gromacs Users,

I am using g_sas program of gromacs to calculate SASA, using -pbc flag.
It seems to me that the program does not take into account the periodic
boundary conditions.
Even thought this problem is mentioned in the mailing list, it still not
clear whether the program can or cannot take into account the
periodicity. 
i am using gromacs3.3.2 . Could anyone please clarify this. 

With Regards,
Gurpreet Singh













































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