Hi,
I am trying construct homopolymer from non-standard monomers .
I have pdb, itp and gro files for monomer and constructed pdb file for polymer.
I can put them in corresponding top/forcefield.ff directory.
But how I can get itp and gro files for polymer (for example, for 3-mer in
simplest case)?
How Gromacs knows which atoms are "head" and "tail" atoms for connection of
monomers
into polymer (like in "Material Studio")?
Thank you in advance.
Igor
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