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

Bernhard Reuter b.reuter at uni-kassel.de
Thu Sep 3 11:26:36 CEST 2015

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")?


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