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

[Camilo Andrés Jimenez Cruz]

Hi list!

it has been discussed in other posts the inconvenience of PBCing after
rotating (see example:
http://oldwww.gromacs.org/pipermail/gmx-developers/2009-November/003754.html),
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?

Thanks!

-- 
Camilo Andrés Jiménez Cruz
-------------- next part --------------
An HTML attachment was scrubbed...
URL: <http://maillist.sys.kth.se/pipermail/gromacs.org_gmx-users/attachments/20110110/95dd20c7/attachment.html>