[gmx-users] simulation of heme along with h2o2

Sanchaita Rajkhowa srajkhowa18 at gmail.com
Wed Feb 18 15:18:53 CET 2015

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

Thanks in advance.

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