Hello,
I am currently using GROMACS 4. When trying to process the pdb file
with pdb2gmx, an error message came up stating that a particular residue was
not recognized by the residue topology database. I then tried to adding a
molecule in the ff....rtp file and adding the name in aminoacids.dat. This
did not work either. The residue that I need to add is a nonprotein. Could
you tell me how I can add this residue to the database and therefore allowing
me to process the pdb file?
Thanks,
Chanel King
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