[gmx-users]build topology file for a molecule define with new residues

cilpa at users.csc.fi cilpa at users.csc.fi
Thu Feb 21 17:27:49 CET 2008

hi all,
i would like make MD simulation of heparin. the only files i have is the
pdb file from protein data bank but residues in this file are unknown by
gromacs. so i have to build the topology file. Is anyone had ever built
topology files and parameters files [or have any ideas] and could help in
telling me the main steps to create those files?
geraldine cilpa
Helsinki university

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