[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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