How can I get a .itp file for bound water in a protein for GROMACS?

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Abolfazl Barzegar

It depends the force field you are using. you can use ATB, swiss param, prodrug for the aim of making itb files.

Akanksha Gupta

thankyou for the reply. I am using Gromos 53a6.

how can i generate the .itp file for only bound waters (which lack connect records) in protein

I propose prodrug. I think it is compatible with Gromos 53a6. You can try and see.