Asmaa Elsheshiny wrote:
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
When using periodic boundary conditions, the "center" of the system is an
arbitrary designation. Gromacs builds boxes
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,
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