On 15/11/2011 10:21 AM, Sanku M wrote:
Hi,
I have a system containing water and a large protein. In the
simulation, I do not want the protein center of mass to drift away.
Why do you want it not to drift away? There's nothing magical about the
center of a periodic simulation cell. Why do yo
Hi,
I have a system containing water and a large protein. In the simulation, I do
not want the protein center of mass to drift away. I was wondering what will be
the reasonable method in gromacs to fix the position of the center of mass of
the protein in its original position . I was thinking
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