[gmx-users] about truncated octahedral periodic box
tsjerkw at gmail.com
Tue Jul 3 15:11:53 CEST 2007
Hi Yang Ye,
It was a different question; the question Rui Li asked was "why is my
protein not in the center of my truncated octahedron"?.
The answer to that question is not:
> You shall use trjconv -ur compact -pbc atom to transform your model.
but is more fundamentally related to understanding the principles of
periodic boundary conditions (rather than to the use of trjconv).
> This is my second time in the week answering this question.
I know.., I get the same feeling now and then.., but keep keen on
reading the question asked.
Tsjerk A. Wassenaar, Ph.D.
Junior UD (post-doc)
Biomolecular NMR, Bijvoet Center
3584 CH Utrecht
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