Dear users, I'm working on simulating protein interactions with polymer surface for tissue engineering applications.
I have developed a primitive model of polymer surface of polystyrene using "genconf". I have obtained .gro and .itp files using prodrg. But now I face error when I use grompp though I included the .itp in .top file! It says "atomtype CR61 is not found". Now I'm struck at this point from many days. Is it that I should add atom types to the ffG43a1nb.itp and ffG43a1bon.itp ? But then where should I get different parameters. Thank you for your help. Harshith Asuri, 3rd year UG student IIT Kanpur, http://home.iitk.ac.in/~harshith
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