[gmx-users] Error in pdb2gmx

Souvik Dey souvik.dey29 at gmail.com
Mon Jul 31 17:10:46 CEST 2017


Can you name some of these softwares? I am relatively new in this.

On Mon, Jul 31, 2017 at 4:59 PM, Mark Abraham <mark.j.abraham at gmail.com>
wrote:

> 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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-- 
Souvik Dey
Integrated Science Education & Research Centre
Visva Bharati University
Santiniketan-731235
West Bengal
8981736643


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