[gmx-users] Error in pdb2gmx

[Mark Abraham]

Hi,

You need to build in the residue in a way that makes sense. Using some
other software, but there are some suggestions on the Gromacs website.

Mark

On Mon, 31 Jul 2017 16:57 Souvik Dey <souvik.dey29 at gmail.com> wrote:

> Hi,
>
> I am trying to run pdb2gmx on a long Amino Acid chain. However, one of the
> residues in the middle is incomplete. If I change the residue manually
> myself, would there be any problem in connectivity? Else, how do I sort out
> this problem?
>
> Souvik
>
> --
> Souvik Dey
> Integrated Science Education & Research Centre
> Visva Bharati University
> Santiniketan-731235
> West Bengal
> 8981736643
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