[gmx-users] -pbc nojump

Mark Abraham Mark.Abraham at anu.edu.au
Wed Oct 20 12:34:29 CEST 2010

On 20/10/2010 9:24 PM, leila karami wrote:
> Dear Mark
> thanks for your attention
> when I used trjconv -pbc nojump, I made one group (protein and dna) in 
> index file and I selected that as centering group.

What is the problem? :-) You might need two passes with trjconv.


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