gmx make_ndx failed when querying new_index.ndx

[imren bayıl]

Hi

I want to calculate binding energy between my protein  and  ligand

but  I am  gettting  this error:

MMPBSA_Error:

/usr/bin/gmx make_ndx failed when querying new_index.ndx

Check the gmx_MMPBSA.log file to report the problem.
Exiting. All files have been retained.

so How to fix this error, Could  you help  me please 

[Mario E. Valdes-Tresanco]

Try updating gromacs 

conda install -c conda-forge gromacs==2023.2

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[imren bayıl]

Thank you

8 Aralık 2023 Cuma tarihinde saat 15:17:57 UTC+3 itibarıyla marioe911116 şunları yazdı: