[gmx-users] How to fix miising atoms in a pdb file?

Simone Bolognini simo.bolognini at gmail.com
Wed Jan 13 08:26:19 CET 2016


For what I know, if you open the pdb file with SPDBV il will automatically
fix the missing atoms. Then you should only take care of saving the new
structure in a new pdb and you're done!

Simone
Il 13/gen/2016 08:13, "Seera Suryanarayana" <palusoori at gmail.com> ha
scritto:

> Dear gromacs users,
>
> I have one pdb file which does not have one atom and I need to be fixed
> that atom in the pdb to run MD simulations. Kindly suggest me to how to fix
> it. Can I mutate the residue of my interest with the same residue by using
> pymol or SPDBV to fix the missing atoms?
>
> Thanks in Advance
> Surya
> Graduate student
> India.
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