[gmx-users] Error in pdb2gmx
Mark Abraham
mark.j.abraham at gmail.com
Mon Jul 31 17:31:26 CEST 2017
Hi,
Google knows that better than I ;-)
Mark
On Mon, 31 Jul 2017 17:11 Souvik Dey <souvik.dey29 at gmail.com> wrote:
> 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
> --
> Gromacs Users mailing list
>
> * Please search the archive at
> http://www.gromacs.org/Support/Mailing_Lists/GMX-Users_List before
> posting!
>
> * Can't post? Read http://www.gromacs.org/Support/Mailing_Lists
>
> * For (un)subscribe requests visit
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