Re: [AMBER] problem in loading 5'terminal phosphate group of tRNA

From: FyD <fyd.q4md-forcefieldtools.org>
Date: Mon, 08 Apr 2013 14:33:23 +0200

Dear N Nandi,

> Thank you for your reply.We also tried to load other pdb files of
> tRNA other than the 6TNA.pdb. We actually face the problem for
> loading that tRNA molecules which bear a phosphate group at the 5'
> end. We attach another file. We shall be thankful to know the
> solution.

- Atom & residue names in the PDB files have to match these in the FF libs.
- If an atom is missing in the PDB file it will be automatically added
based on the atoms available in the FF libs.
- In a given residue two atoms cannot share the same name:

    Warning: Atom names in each residue should be unique.
      (Same-name atoms are handled by using the first
       occurrence and by ignoring the rest.
       Frequently duplicate atom names stem from alternate
       conformations in the PDB file.)

regards, Francois



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Received on Mon Apr 08 2013 - 06:00:05 PDT
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