[gmx-users] swissparm .itp problems

[soumadwip ghosh]

Hi,
    You should cut+paste the [ atomtypes ] and the [ pairtypes ] in a new
atomtypes_ligand.itp file so that your ligand.itp starts from the directive
[ moleculetype ]. Now, add the atomtypes_ligand.itp in your topology file
before the ; Include chain topologies part.

Hope this helps

Cheers,
Soumadwip