[gmx-users] Problem with GROMACS simulation

Peter Stern peter.stern at weizmann.ac.il
Sun Nov 15 18:50:05 CET 2015


Dear Shantanu,

As Erik already told you, your attachments aren't accepted by the list so nobody can see them.
You need to download your files to some public place where everyone can access them if they want, e.g. Dropbox, etc.
Without looking at the relevant files, nobody can possibly help your with your problem, because nobody can see what it is.
Also, it would be much more useful to give a more descriptive "Subject" to you "problem" if you can.

Peter

-----Original Message-----
From: gromacs.org_gmx-users-bounces at maillist.sys.kth.se [mailto:gromacs.org_gmx-users-bounces at maillist.sys.kth.se] On Behalf Of Shantanu Singh
Sent: Sunday, November 15, 2015 7:20 PM
To: gmx-users at gromacs.org
Subject: Re: [gmx-users] Problem with GROMACS simulation

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
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