[gmx-users] trjconv -fit rot+trans before a pbc? safe way to rotate a trajectory?

Camilo Andrés Jimenez Cruz camilo.jimenezc at gmail.com
Mon Jan 10 22:39:48 CET 2011

Hi list!

it has been discussed in other posts the inconvenience of PBCing after
rotating (see example:
I just want to know what is the state of this problem and if somebody has
found a satisfying solution.

I also wonder if it has been considered the idea of doing PBC  *at the same
time* that the rotation is made, In my view, this would fix the problem. no?


Camilo Andrés Jiménez Cruz
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