[gmx-users] EM of a single molecule

Tanos tccf at epq.ime.eb.br
Tue Dec 16 20:22:00 CET 2003

    Hi folks,
    I wish to perform a EM of my cofactor alone (separated from the 
protein's active site). I have already parametrized the cofactor in the 
Dundee site and have got my .gro and .itp files but I am not been able 
to run the energy minimization in GROMACS with this files. Can someone 
help me. All I want is to perform a EM of a single molecule (different 
of a protein) in a water box.
    Thanks a lot in advance.
    Tanos C. C. Franca
    IME - Rio de Janeiro

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