[gmx-users] PEO and OPLS-AA FF in gmx

lammps lammps lammp2forum at gmail.com
Fri Sep 25 16:44:34 CEST 2009


I want to simulate a PEO chain in water using OPLs-AA FF in Gromacs.

I have created a .PDB file using Material Studio, but I seems that the
pdb2gmx can not dealt with it because of the error" Residue 'xx' not found
in residue topology database"
The question is how can I obtain the .top and .gro file in the framework of
OPLS-AA FF. Any suggestion is appreciated.

Thanks in advance.

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