<pre><font size="4">Dear users,<br><br>I'm working on simulating protein interactions with polymer surface for<br>tissue engineering applications.<br><br>I have developed a primitive model of polymer surface of polystyrene using<br>
"genconf". I have obtained .gro and .itp files using prodrg. But now I<br>face error when I use grompp though I included the .itp in .top file! It<br>says "atomtype CR61 is not found". Now I'm struck at this point from many<br>
days.<br><br>Is it that I should add atom types to the ffG43a1nb.itp and ffG43a1bon.itp ? <br>But then where should I get different parameters. <br><br>Thank you for your help.<br><br>Harshith Asuri, <br>3rd year UG student <br>
IIT Kanpur,<br><a href="http://home.iitk.ac.in/~harshith">http://home.iitk.ac.in/~harshith</a><br></font></pre>