[gmx-users] simulation of heme along with h2o2

[Sanchaita Rajkhowa]

Dear all, I am trying to simulate a heme containing protein in high
concentration (having hydrogen peroxide). However, I do not know which
forcefield to use. Heme has forcefield in gromos96 but not the forcefield
of H2O2? Will generating .itp files for H2O2 from swissparam work? Please
help.

Thanks in advance.
Sanchaita.