[gmx-users] Fe2+ non bonded parameters for AMBER

Raj D gromacs.for.f at gmail.com
Wed Apr 15 06:19:08 CEST 2015

Dear Users,
Had anybody used Fe2+ ions in the active site of protein. I am planning to
use one using amber99sb forcefield...please suggest to use the nonbonded
parameters for Fe2+ ions, sigma and epsilon values.
Kind regards,

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