Dear Gromacs users,
I'm sure that the Gromos5A36 force field have topology to the heme
group and would like to know how to proceed to perform a successfull MD
simulation on a protein with this group. Should I just write the name of
the heme topology file inside the protein.top file (just like we do with
ions.itp) ? We also would like to confirm the name of the heme topology
file. Is it heme.rtp ?
Thank you in advance.
Tanos C. C. Franca.
Coordinator of the Graduate Program in Chsmistry.
Military Intitute of Engineering.
Rio de Janeiro - RJ
Brazil.
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