[gmx-users] proper force fields for fullerene

serdar durdagi durdagis at yahoo.de
Thu Aug 30 13:03:12 CEST 2007

Dear all,
  I am trying to make MD simulation of fullerene derivatives with HIV protease..When I try to convert merged pdb file of protein+ligand to gmx file, using forcefields like G43a1 it gave error message as residue 'lig' not found in residue topology database. 
  Is anybody knows which parameters in ff should I change?
  Kind Regards,

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