[gmx-users] rotate a .xtc file?

chris.neale at utoronto.ca chris.neale at utoronto.ca
Wed Nov 3 04:30:33 CET 2010

Dear users,

I have 100 GB of .xtc with 3E6 total frames that that I would like to  
rotate by 90 deg about the z axis.

For a .gro file, I could do this with editconf. trjconv does not  
appear to have this ability. Writing out so many frames as .gro just  
to rotate it with editconf and turn it back into a .xtc seems like a  
slow idea. trjconv -fit rotate will not work either since there is no  
way to predefine the angle of rotation. Does anybody have any ideas?

I saw this:  
http://www.mail-archive.com/gmx-users@gromacs.org/msg20311.html but no  


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