Hello,
I just noticed the -pbc option for the trjconv command had changed after a
version 3.3.x.
The original -pbc inbox option were replaced by -pbc atom, -pbc mol etc.
As I remember for early versions of Gromacs the default pbc of output
trajectories was "whole",
which means no broken molecules. But I just found it's not the case for the
latest version, since
I can see broken lipids for my membrane system using "ngmx". I'm just wondering
what's the
default pbc for the latest Gromacs version and whether there is a way to change
it before MD
simulations.
Thanks for your help.
Lanyuan Lu
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