[gmx-users] 53A6 Heme bound Cys

Parker de Waal Parker.deWaal09 at kzoo.edu
Sat Jun 15 02:58:36 CEST 2013

Hi GMX users!

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

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.


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