[gmx-users] how to create a PEO Residue database

[michael.b]

for a template and instructions for making a polymer residue database based
on opls you also might want to have a look at gmx-ffoplsp  
in http://brunsteiner.net/software.html

this worked for gmx-4.0.7 and should still do so,
only you don't need to edit the FF.dat file anymore but just insert a folder
containing the required files (essentially rtp, atomtypes, ffbonded, and
ffnonbonded)
in  the share/gromacs/top directory, the folder is called name.ff where
"name" is
randomly chosen identifyer for you ff ...

cheers



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