[gmx-users] Regarding trjconv

Ali Khodayari ali.khodayari at student.kuleuven.be
Sun Dec 2 17:22:07 CET 2018

Dear all,


I am trying to re-center and re-orient an md resulted solute in a box. Yet,
I need the box to hold its position and I only need a group of atoms to
align along z-direction. Trjconv centers the group in the box but the
desired sub-group has a slight inclination which is needed to be oriented
along z axis. Is there any particular trick to do this? Maybe in combination
with editconf?




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