[gmx-users] gmx distance
Sergio Manzetti
sergio.manzetti at fjordforsk.no
Fri Aug 25 13:43:29 CEST 2017
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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