[gmx-users] Error with polymer surface modeling
y600100 at gmail.com
Tue Jul 1 07:48:57 CEST 2008
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.
3rd year UG student
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