[gmx-users] gmx distance

[Tasneem Kausar]

Ctrl+D

On Fri, Aug 25, 2017 at 5:06 PM, Sergio Manzetti <
sergio.manzetti at fjordforsk.no> wrote:

> Hello, I am trying to find the average distance between two groups in a
> trajectory, defined by the index.ndx file and the traj.xtc,
>
> the options are
>
>
> Available static index groups:
> Group 0 "System" (33331 atoms)
> Group 1 "DNA" (1333 atoms)
> Group 2 "NA" (71 atoms)
> Group 3 "CL" (31 atoms)
> Group 4 "DEHP" (66 atoms)
> Group 5 "Ion" (102 atoms)
> Group 6 "NA" (71 atoms)
> Group 7 "CL" (31 atoms)
> Group 8 "DEHP" (66 atoms)
> Group 9 "Other" (66 atoms)
> Group 10 "NA" (71 atoms)
> Group 11 "CL" (31 atoms)
> Group 12 "DEHP" (66 atoms)
> Group 13 "Water" (31830 atoms)
> Group 14 "SOL" (31830 atoms)
> Group 15 "non-Water" (1501 atoms)
> Group 16 "Water_and_ions" (31932 atoms)
> Group 17 "DEHP" (66 atoms)
> Group 18 "DNA" (1333 atoms)
> Specify any number of selections for option 'select'
> (Position pairs to calculate distances for):
> (one per line, <enter> for status/groups, 'help' for help, Ctrl-D to end)
> > 1
> Selection '1' parsed
> > 4
> Selection '4' parsed
> >
>
>
> however, then, which command to issue to start the distance generation?
>
> Thanks
>
> Sergio Manzetti
>
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