[gmx-users] Selecting groups for analysis in batch submission

[Anirban Ghosh]

Hi ALL,

I want to calculate the distance between a number of atom pairs using
g_dist. For this I want to submit the job through a submission script so
that g_dist calculates the distances for all the pairs one after the other.
But I need to select the two groups from an index file. How can I give this
selection of groups in the script, instead of interactively? Any suggestion
is welcome.

Regards,

Anirban
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