[gmx-users] Problem with GROMACS simulation

[Shantanu Singh]

How do i get help regarding my simulations?

I am working on an alkane system using TraPPE force field. There is some
issue which I can't figure out how to solve.



On Sat, Nov 14, 2015 at 9:54 PM, Erik Marklund <erik.marklund at chem.ox.ac.uk>
wrote:

> Hi,
>
> I don’t think attachments are accepted on the mailing list.
>
> Kind regards,
> Erik
>
> > On 14 Nov 2015, at 15:32, Shantanu Singh <singhshantanu01 at gmail.com>
> wrote:
> >
> > Hello!
> >
> > I am a Senior undergraduate at IIT delhi, India. I have trying to
> simulate
> > a system of alkanes in water with the ultimate aim of determining their
> > diffusion coefficients.
> >
> > So, when I'm trying to run a simulation, it gives an error. A copy of the
> > error report has also been attached herein along with all other files
> > involved in the simulation.
> >
> > I would be really grateful if you could find the time to take a look at
> > them and help me out. This project is an essential part of my bachelors
> and
> > is very important to me.
> >
> >
> > Thank you.
> >
> > --
> > Regards
> >
> > Shantanu Singh
> > Senior Undergraduate
> > IIT Delhi
> > --
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-- 
Regards

Shantanu Singh
Senior Undergraduate
IIT Delhi