[gmx-users] Adding a residue

Smith, Chanel Chonda c.c.smith at nsu.edu
Thu Aug 13 19:50:24 CEST 2009

    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?

Chanel King

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