[gmx-users] When is it necessary to use the -nopbc option in GROMACS analysis tools (i.e. g_sas)?

[Bernhard Reuter]

Dear all,

Is it necessary to use the -nopbc option ("By default, periodic boundary 
conditions are taken into account, this can be turned off using the 
-nopbc option.") when analyzing files which were before processed with 
trjconv (trjconv -s "tprfile" -f "filename" -pbc mol -ur compact -center 
-o "filename")?

Best,
Bernhard