[gmx-users] Regarding trjconv

[Ali Khodayari]

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?

 

Best,

Ali