[gmx-users] EM of a single molecule
tccf at epq.ime.eb.br
Tue Dec 16 20:22:00 CET 2003
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
More information about the gromacs.org_gmx-users