[gmx-users] error found in gmx

[Tsjerk Wassenaar]

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.

Cheers,

Tsjerk

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
>
> --
> gmx-users mailing list    gmx-users at gromacs.org
> http://lists.gromacs.org/mailman/listinfo/gmx-users
> Please search the archive at
> http://www.gromacs.org/Support/Mailing_Lists/Search before posting!
> Please don't post (un)subscribe requests to the list. Use the
> www interface or send it to gmx-users-request at gromacs.org.
> Can't post? Read http://www.gromacs.org/Support/Mailing_Lists
>



-- 
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