[gmx-users] 53A6 Heme bound Cys

[Parker de Waal]

Hi GMX users!

Does anyone here have experience creating custom toplogies for the 53A6
forcefield?

I'm currently trying to 'bind' the Fe, of a heme, to a Cys residue to
simulate coordination. I've looked into using PRODRG2 and ATB servers,
however they do not support such generation

Any assistance would be greatly appreciated.

Best,
Parker