[gmx-users] Question on running gmx trjconv without 2 prompts

Lei Qian tuk04130 at temple.edu
Fri Apr 17 02:12:25 CEST 2020


Dear users,

Could I ask: how to run gmx trjconv without 2 prompts?
I select 'Protein' to center, and 'System' to output.

I put indexes of 'Protein' and 'System' into 1 .ndx file, add -n
Protein_System.ndx to gmx trjconv command, however, Gromacs cannot do the
selection automatically and asked me to choose from 'Protein' or 'System'.
Thanks!
Lei


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