[gmx-users] (no subject)

[Sotirios Dionysios I. Papadatos]

This is most probably due to some missing atoms. If you are not trying to include "exotic" atoms, meaning that you have to add them to aminoacids.rtp etc then you need a program like "Schrodinger/maestro" to manually add the atoms missing, export it to .pdb and try again.
Hope that helps

________________________________________
From: gromacs.org_gmx-users-bounces at maillist.sys.kth.se <gromacs.org_gmx-users-bounces at maillist.sys.kth.se> on behalf of hari ram <harikarela86 at outlook.com>
Sent: Monday, July 27, 2015 2:04 PM
To: gromacs.org_gmx-users at maillist.sys.kth.se
Subject: [gmx-users] (no subject)

Hi Users,

I have a .pdb file, in this file when I want to use pdb2gmx command there is this error massage:Fatal error:
Incomplete ring in HIS771

this aminoacid is not complete in general, I don't know how can I
complete this such that I don't add HIS for complete? Please give me a
hint.


Thank you

Hari

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