Hello Saikat,
Greetings. Center of mass is obtained by mass weighted averaging of
coordinates of atoms in a group (like a residue or a nucleotide). So no
single atom selection is required.
If I understood your question incorrectly and you want to select a
sub-set of atoms for center of mass calculation, then it should be your
choice, depending on what you are trying to investigate.
Pratul
Pratul K. Agarwal, Ph.D.
(Editorial Board Member: PLoS ONE, Microbial Cell Factories)
Computational Biology Institute &
Computer Science and Engineering Division
Oak Ridge National Laboratory, Oak Ridge, TN 37831, USA
Phone: +1-865-574-7184
Web: http://www.agarwal-lab.org/
On 6/2/2017 8:25 AM, Saikat Pal wrote:
> Dear AMBER users, What atom no should I consider the center of mass of Guanine for RDF calculation ??Thanks and regards,saikat
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Received on Fri Jun 02 2017 - 06:30:02 PDT
