How to reparameterize the topology generated by CGENFF to reduce penalty score?

GROMACS version:
GROMACS modification: Yes/No
Here post your question

How to reparameterize the topology generated by CGENFF to reduce penalty score?

While I was trying to generate ligand topology using CGENFF, the penalty score exceeded 50 (parameter penalty 141; charge penalty= 56.475). how do I reparameterize to obtain acceptable penalty score range?

There are CGenFF tutorials available (just Google for them…) and new tools such as the FFParam GUI from the MacKerell group.