CODEWITHSUNDEEP
pythonsimulationorientationprotein-databasemdanalysis
Viswa Vittal
Viswa Vittal

Reputation: 9

MD analysis using Python

I am trying to run this command:

python3 traj_orientation-group.py -g fnIII-9_ps20_Nchain6_T298_nw.gro -x fnIII-9_ps20_Nchain6_T298_nw.xtc -o fnIII-9_ps20_Nchain6_run1.phrsn-orientation --protein_res_start 1 --protein_res_stop 89 –group 51 52 53 54 55

This is for MD analysis. I got this following error below:

usage: traj_orientation-group.py [-h] [-g GROFILE] [-x XTCFILE] [-o OUTFILE] [--protein_res_start PROTEIN_RES_START] [--protein_res_stop PROTEIN_RES_STOP] [--group GROUP [GROUP ...]] traj_orientation-group.py: error: unrecognized arguments: –group 51 52 53 54 55

How can I resolve this?

Upvotes: 1

Views: 71

Answers (1)

w_sz
w_sz

Reputation: 332

You are providing an argument –group 51 52 53 54 55 and it seems that the only option in the source script is --group (so a double dash is needed)

I will also mention that -g and --group are equivalent and you already provided some arguments to -g here -> -g fnIII-9_ps20_Nchain6_T298_nw.gro

Upvotes: 1

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