Hi, 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. -- wende
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