[gmx-users] adding a custom residue with an itp file

[Jose Borreguero]

Dear Gromacs users,

I have created an include topology file (sil.itp) for a silica crystal, but
the instructions in
http://www.gromacs.org/Documentation/How-tos/Adding_a_Residue_to_a_Force_Field
leave me with a couple of unclear points. Please help!

1. This "residue" is not of type 'Protein' or 'DNA', so can I just create a
new type in file residuestypes.dat? Something like "SIL Silica"? Do I
actually have to declare this molecule within residuestypes.dat?

2. All the bonding info is already in the sil.itp file I just created, but
do I still have to include this residue in file aminoacids.rtp?

Best,
Jose