[gmx-users] Problem with gmx-distance
tyugashev at niboch.nsc.ru
Wed Sep 16 15:45:50 CEST 2015
I want to get the distance between atoms 3770 and 5182 in my trajectory
After consulting with the Manual I write command:
gmx distance -n ind2.ndx -f trj1_WT_md_40.xtc -s wt_md.gro -oav
distav.xvg -oall dist.xvg
and index file ind2.ndx:
[ LYS_241_ODG_C1' ]
The program responds like this:
Available static index groups:
Group 0 "LYS_241_ODG_C1'" (2 atoms)
Specify any number of selections for option 'select'
(Position pairs to calculate distances for):
If I pick 0, it responds 'Selection '0' parsed' and then nothing happens.
What to do next? The manual is incredibly murky and there are no
examples in the net.
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