2007/3/16, andrea spitaleri <[EMAIL PROTECTED]>:
Qiao Baofu wrote:
>
> When integrating, it is for the sphere: 4*PI*integral[/pho*r^{2}*dr].
fine. this is clear, where rho = N/V and N = number of particles (7 ions
in this case)
and V is the total Volume.
N is the total number of the atoms to
Qiao Baofu wrote:
>
> When integrating, it is for the sphere: 4*PI*integral[/pho*r^{2}*dr].
fine. this is clear, where rho = N/V and N = number of particles (7 ions in
this case)
and V is the total Volume.
> Therefore, the efficient volume is (10x10x10). this may give you N=6.
why the efficient
2007/3/16, [EMAIL PROTECTED] <[EMAIL PROTECTED]>:
Hi all,
I am struggling with the rdf. I have 7 structural ions in my protein and
I'd like to monitor the coordination number around them (ion - protein)
during my MD. I have read papers about it and:
http://www.gromacs.org/pipermail/gmx-users/200
Hi Andrea,
I have a program to look at the coordination number and other things
for cations and oxygen ligands. Maybe that could help... If you want,
I can send it to you.
Best,
Tsjerk
On 3/16/07, [EMAIL PROTECTED] <[EMAIL PROTECTED]> wrote:
Hi all,
I am struggling with the rdf. I have 7 stru
Hi all,
I am struggling with the rdf. I have 7 structural ions in my protein and
I'd like to monitor the coordination number around them (ion - protein)
during my MD. I have read papers about it and:
http://www.gromacs.org/pipermail/gmx-users/2006-November/024911.html
and
http://www.gromacs.org/pip
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