[gmx-users] Error with polymer surface modeling

h a y600100 at gmail.com
Tue Jul 1 07:48:57 CEST 2008

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

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,
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