[gmx-users] adding a non-residue molecule
v.gogonea at csuohio.edu
Mon Jun 10 20:43:45 CEST 2002
Hello gromacs users,
I constructed the topology file (.itp) for a molecule which is not in
the .rtp file. I run separately pdb2gmx for the protein without cofactor
and now I want to construct the .tpr file for protein+cofactor. My
problem is that I have coordinates from a .gro file for protein and from
a pdb file for cofactor. How can I mix them now? pdb2gmx seems to change
the coordinates of protein.
I would appreciate any suggestion.
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