[gmx-users] Panelty score for CGenFF

[Quin K]

Hi

I got some high penalty scores for CGenFF generated .str file for several
atoms (Prepared for protein-ligand complex MD).
Kindly let me know how to validate these value and change them if
necessary.

Molecules (.mol2)
https://controlc.com/263a8d2c

Penalty scores (.str)
https://controlc.com/de9fecb3

Thank you in advance
Regards

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