[gmx-users] pbc and tpr file

Mark Abraham Mark.Abraham at anu.edu.au
Wed Dec 12 01:42:22 CET 2007

tangxuan wrote:
> hi all,
>  I want to calculate the rmsd of my protein. If I remove the jump in the
> xtc file or trr file, what should I do with tpr file?

Nothing. Depending on your inputs to g_rms, it might provide your 
reference structure.


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