[gmx-users] gro to itp file

Anubha Agrawal anubha.chemeng at gmail.com
Sat Oct 27 09:02:16 CEST 2018

Yes @soumadwip sir, you are right but my residue entry in .rtp file lacks
the information of dihedral and angles so I won't get the files supposed to
obtain from pdb2gmx. I want to know if there is an option to
self-consistently generate angles, proper dihedrals, and improper dihedrals
for the present molecule where I've already identified the correct atom
types and bonds?

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