[gmx-users] Re: Re:Re:g_mindist option

[alkasrivastava at iitb.ac.in]

Thanks a lot for your reply


Actually "maximum internal distance" is not a separate concept it is what
i am getting in the mindist.xvg file shown below

This is the mindist.xvg file:


@  title "Minimum distance to periodic image"
@    xaxis  label "Time (ps)"
@    yaxis  label "Distance (nm)"
@TYPE xy
@ subtitle "and maximum internal distance"
@ view 0.15, 0.15, 0.75, 0.85
@ legend on
@ legend box on
@ legend loctype view
@ legend 0.78, 0.8
@ legend length 2
@ s0 legend "min per."
@ s1 legend "max int."
@ s2 legend "box1"
@ s3 legend "box2"
@ s4 legend "box3"
        0        6.000  0.000  6.000  6.000  6.000
        0.5      6.000  0.000  6.000  6.000  6.000
        1        6.000  0.000  6.000  6.000  6.000
        1.5      6.000  0.000  6.000  6.000  6.000
        2        6.000  0.000  6.000  6.000  6.000
        2.5      6.000  0.000  6.000  6.000  6.000

So according to the header information the third column (all 0.00) is the
information for maximum internal distance but i am not getting what it
conveys.


Also actually may be i was not able to convey you what i wanted to ask. If
i consider only 2D and the center one is my real box and all other are the
periodic images. so here there are 8 periodic images 4 of them will be of
6nm (since my box is cubic-6nm) but 4 will be of more than 6nm (the
diagonal one). So seeing this i am not able to justify that how could be
the maximum distance will be 6nm.


            :-----:-----:-----:
            :  a  :  a  :  a  :
            :-----:-----:-----:
            :  a  :  a  :  a  :
            :-----:-----:-----:
            :  a  :  a  :  a  :
            :-----:-----:-----:

If you could please help me in this.

Thanks

Regards
Alka