[gmx-users] (no subject)

[Shivangi Agarwal]

Thanks for your suggestion.
One more thing
In topology file generated by ATB, there is HS14 atomtype and i am getting
error
FATAL error
ATomtype HS14 not found

How to handle this error?
Kindly suggest


On Tue, Jun 20, 2017 at 12:18 PM, Mark Abraham <mark.j.abraham at gmail.com>
wrote:

> Hi,
>
> You don't need a file in the gro format. You need coordinates that match
> the topology present in any supported file format, eg pdb or g96 etc.
>
> Mark
>
> On Tue, 20 Jun 2017 09:01 Shivangi Agarwal <shivangi.agarwal800 at gmail.com>
> wrote:
>
> > Hello
> >
> > I used the ATB server for generation of topology file following Gromacs
> > Turorial
> >
> > http://www.bevanlab.biochem.vt.edu/Pages/Personal/justin/
> gmx-tutorials/complex/02_topology.html
> > <
> > https://www.researchgate.net/deref/http%3A%2F%2Fwww.
> bevanlab.biochem.vt.edu%2FPages%2FPersonal%2Fjustin%
> 2Fgmx-tutorials%2Fcomplex%2F02_topology.html
> > >
> >
> > I need obtain two files .itp & .gro. I used the ATB server.
> > https://atb.uq.edu.au/molecule.py?molid=225178#panel-md
> >
> > The server gave me many files (Topology Files and Structure Files).
> > I am unable to see my "gro" file.
> > Please help
> > Your answer is highly appreciated.
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