[gmx-users] Fwd: Problem with GROMACS simulation

Shantanu Singh singhshantanu01 at gmail.com
Sat Nov 14 16:32:59 CET 2015


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.


Shantanu Singh
Senior Undergraduate
IIT Delhi

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