[gmx-users] Protein simulation including ligand with Fe(III)

Nikolaos Michelarakis nm884 at york.ac.uk
Tue Aug 5 14:51:22 CEST 2014

Hi Justin,

Thank you for your answer. I was going to use the parameters from an MM
paper but since you mentioned that, any idea where I can find some better
parameters? I don't want them to be perfect and I don't have time for QM,
just something so the protein won't blow up up.



More information about the gromacs.org_gmx-users mailing list