I need to do a top file for OPLSAA ff. How can I create an itp file for a Hydrophobin HFII?

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Anu Manhas

For generating .itp file of the protein use command gmx pdb2gmx.

This command will generate three files, one of them is .itp file.

And could you please elaborate your question, is it protein or ligand for which you need to generate .itp file?

Andres Vodopivec

Hi Anu Manhas,

the molecule is a protein