Dear gmx users, I need some help for generating a itp file for my molecular structure. I am using molden and now I have the xyz and pdb files. I read through mailing list but seems I should provide itp myself. But I don't know the right way to do that. Is it using molden and find one-by-one bond sand angles and dihedrals... . If I have already the itp file for a part of molecule is it only to add the information of new atoms to the old itp file?? I will really appreciate it if someone gives me better ideas and more related information to make my itp file.
Many Thanks in Advance, Jamie
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