[gmx-users] What's the default pbc of Gromacs trajectories?
lulanyuan at msn.com
Mon Jul 28 22:55:13 CEST 2008
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
Thanks for your help.
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