[gmx-users] center the protein to the origin

Asmaa Elsheshiny pyaaea at leeds.ac.uk
Wed Dec 22 14:10:28 CET 2010


Hi, 
I am simulating a protein in water. But I have forgotten to center the protein from the beginning to the origin. So, is it possible to center the protein to the origin in the trajectory file? And if it is not possible, how can  obtain the atomic positions independent of  the center of mass, to use for further analysis?
Cheers,
Asmaa



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