Hi, Modeller

I am trying to add a ligand as new residue type. My ligand is acetylcholine. I found its topology in CHARMM /toppar/top_all27_port_lipid.rtf as ACHO. This is how I did:

I copy the part from CHARMM file for ACHO to the end of $MODLIB/top_heav.lib. Then add a line at the end of $MODLIB/restyp.lib 142 | ACH | # | ACHO | acetylcholine

I use # in the alignment file

I have the following in my top file: SET TOPLIB = '$(LIB)/top_heav.lib' SET PARLIB = '$(LIB)/par.lib' SET HETATM_IO = 'ON'

However, mod7v7 still indicate that I have unknown residue type. Where I was wrong?

Thank you

Hailong