[gmx-users] Fwd: Problem with GROMACS simulation

Shantanu Singh singhshantanu01 at gmail.com
Sat Nov 14 15:20:41 CET 2015


---------- Forwarded message ----------
From: Shantanu Singh <singhshantanu01 at gmail.com>
Date: Fri, Nov 13, 2015 at 9:40 PM
Subject: Problem with GROMACS simulation
To: gromacs.org_gmx-users at maillist.sys.kth.se


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



-- 
Regards

Shantanu Singh
Senior Undergraduate
IIT Delhi


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