[gmx-users] reg. error

[lina]

On Fri, Feb 3, 2012 at 12:54 PM, Vishwambhar Bhandare
<vishwayogi at gmail.com> wrote:
> Hello,
> I am getting error given below,
> wht we can do for this?
>
>
> Program pdb2gmx, VERSION 4.5.4
> Source code file: /build/buildd/gromacs-4.5.4/src/kernel/pdb2gmx.c, line:
> 655
>
> Fatal error:
> Atom 'H5T in residue A 1 was not found in rtp entry RA5 with 31 atoms
> while sorting atoms.

Pay attention to check the residue A 1 in your input .gro file, and
then check the .rtp file in the
some_path_to/share/gromacs/top/_your_choice_of_force_field/rtp file.
> .
>
> Thanks and Regards,
> --------------------------
> Vishwambhar
> Centre for Bioinformatics
> Pondicherry University
> Pondicherry
> --------------------------
>
>
>
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