[gmx-users] itp file

Jamie Seyed jamie.seyed at gmail.com
Sat Aug 8 22:53:43 CEST 2009

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,
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