[gmx-users] Building metalloprotein topology?

Timofey Tyugashev tyugashev at niboch.nsc.ru
Tue Nov 1 12:53:58 CET 2016

I want to model a metalloprotein with a Fe-containing cofactor 
coordinated by several cysteine residues. I have obtained FF parameters 
for the cluster.
What is the proper procedure for building the correct input for GROMACS 

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