[gmx-users] Modifying the force field to recognize iron with ligand atoms?

Rajiv Gandhi grajiv03 at gmail.com
Tue Nov 13 03:17:07 CET 2012

Could someone tell how can i modify the specific force field, for example
gromacs43a1, to build topology file for protein has iron that interact with
some ligands (cytochrome, hemoglobin...etc)? which file i should modify?

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