cmb411 at psu.edu
Tue Oct 14 03:15:02 CEST 2003
I try to run a simulation on a molecule which is NOT a protein(or other
biomolecule). No matter which of the ff implemented in gromacs I choose the
result is this:
"Fatal error: Residue '' not found in residue topology database."
I kind of expected it, I imagine that these ff do not have defined at least one
atomtype that I need for my molecule.
Where from to start fixing the problem?
Does one really need the residue topology database?
Or what's the matter?
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