[gmx-users] file heme.rtp

Tanos Franca tanos at ime.eb.br
Wed Jan 12 01:59:24 CET 2011

     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

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