[gmx-users] error found in gmx

Tsjerk Wassenaar tsjerkw at gmail.com
Wed Nov 24 06:06:09 CET 2010

Hi Ithayaraja,

That's not an error in pdb2gmx. It's an error in your input file. One
of your residues (H341) is not complete. This is the first thing to
check when going for a simulation. You'll have model the missing atoms
in before you can proceed.



On Wed, Nov 24, 2010 at 5:09 AM, ITHAYARAJA <ithayaraja at gmail.com> wrote:
> Hi Dear,
> I found a fatal error as I running pdb2gmx command, Which shows that
> incomplete ring in HIS341. I am very confused what it's meant and how do i
> solve the problem?
> Please any body give me a reasonable solution for that
> thank you
> --
> --
> With love and gratitude of,
> Ithayaraja M,
> Research Scholar,
> Department of Bionformatics,
> Bharathiar University,
> Coimbatore 641 046,
> Tamil Nadu
> India
> --
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Tsjerk A. Wassenaar, Ph.D.

post-doctoral researcher
Molecular Dynamics Group
* Groningen Institute for Biomolecular Research and Biotechnology
* Zernike Institute for Advanced Materials
University of Groningen
The Netherlands

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