[gmx-users] .tdb entries for polystyrene (or other linear polymer)
andreamuntean at gmail.com
Fri Oct 10 16:24:29 CEST 2008
Sorry for the trivial question, but I am new in Gromacs. I try to simulate a
polystyrene film and I want to use a 8.pdb file from an equilibrated film of
32 chains, 80 monomers each. I unterstand that I should enter the residues
(for the first, inner and last monomer(s)) and maybe to define the correct
parameters in the *.itp file(s). But it is still not clear to me how to
define the conectivity between the monomers.
Can somebody help me? I saw there are some people simulating polymers with
gromacs. Please help!
Thank you for any help,
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