[gmx-users] Preparing polystyrene

Andrea Muntean andreamuntean at gmail.com
Mon Oct 6 09:44:08 CEST 2008


I am trying to use a .pdb for a polystyrene film (32 chains with 80 monomers
each). The problem is that when I start running pdb2gmx I get the error that
it can not find the residues (which are of course different from those in
Gromacs).
What would be the best thing to do? Have somebody a pdb or rtp file for
Polystyrene? Which force filed would be more apropriate (united atoms)?

Thank you.
Andrea
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