[gmx-users] Manual reparameterization for ligand topology

[DEEPANSHU SINGLA]

I used the CGenFF program for generating the ligand topology. The GROMACS
tutorial recommends the manual reparameterization of force field in case
the penalty score exceeds 50. My ligand penalty scores exceed 50 and don't
know how to change the parameters. Please help in this regard. I am
attaching the str file of ligand generated by using the CGenFF server.

Thanks,
Deepanshu Singla