[gmx-users] gmx distance
Andrew Bostick
andrew.bostick1 at gmail.com
Mon Jul 23 17:04:24 CEST 2018
Hi,
I want to calculate distance between com of 2 groups (3 and 8)
gmx_mpi distance -f md.xtc -s md.tpr -n index.ndx -oav dist.xvg
After that:
Available static index groups:
Group 0 "System" (27599 atoms)
Group 1 "Other" (716 atoms)
Group 2 "MMM" (704 atoms)
Group 3 "LIG" (12 atoms)
Group 4 "Water" (26883 atoms)
Group 5 "SOL" (26883 atoms)
Group 6 "non-Water" (716 atoms)
Group 7 "MMM_LIG" (716 atoms)
Group 8 "MMM_com" (44 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)
> ^C
How to use option -select?
Please guide me to use -select.
Thanks
AB
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