The '-dec' parameter is missing in unigbsa-traj

[CNDOTA]

If I add '-dec' to decompose energy when using unigbsa-traj, the following error will be raised:

unigbsa-traj: error: unrecognized arguments: -dec

Could you fix this?

Thank you very much!

[CNDOTA]

After looking into the source code, I fix it with -m 'gb,decomposition' and it seems to work.

But I meet another error:

"
[INFO ] Writing Normal Ligand AMBER topology...
[WARNING] Number of decomp residues to print using print_res = 'within 6' < 2
[INFO ] Increasing cutoff value by 0.1 until number of decomp residues to print >= 2
[ERROR ] MMPBSA_Error

The maximum number of iterations to select interaction residues was reached. Please set print_res with a valid selection.

Check the gmx_MMPBSA.log file to report the problem.
"

How could I revise it to perform the decomposition of the residue energy with Uni-GBSA command?

Thank you very much!

[Aunity]

Could you provide more information? Some example of your input files.