[gmx-users] gmx distance

Ayesha Fatima ayeshafatima.69 at gmail.com
Thu May 14 01:33:23 CEST 2015


Dear Justin,
Thank you for the response. I used this as  command line

gmx_mod distance -s pull.tpr -f conf0.gro -n index.ndx -select groups.txt

Obviously this is wrong in the 'select' command. I read again the way to
put it on the online manual. I am not sure how to pair the COM of A and B,
like given on the page 'com of group "A" plus com of group "B"

Appreciate the correct way of writing this in the script file also

Thank you once again
Regards
Ayesha Fatima


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