update xml_writer for improper dihedral (for example, EMIM+ using GAFF) #477
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PR Summary:
xml_writer.py produce error for improper dihedral in GAFF force field for EMIM+, and this pull request will solve it.
Specially, I was trying to produce XML file from the parmed structure imported from the GAFF server, but it produced error for EMIM+.The issue is that we need to use like dihedral.type[0].per to get the values in .per for dihedral (improper). For normal dihedral function, we don't need the "[0]".
PR Checklist
xml_writer.py produce error for improper dihedral in GAFF force field, and this pull request will solve it.