[gmx-users] Free energy calculation, Methane in water tutorial

Sun Iba sun.iba2 at gmail.com
Fri Sep 2 13:09:29 CEST 2016

Hello dear users

I am following Justin's tutorial for free energy calculation of Methane in
water. I have downloaded the job.sh file and trying to run it in terminal
using: sh job.sh but it is giving following error:

Program mdrun, VERSION 5.0
Source code file:
/home/corona2/Downloads/gromacs-5.0/src/gromacs/fileio/gmxfio.c, line: 513

Can not open file:
For more information and tips for troubleshooting, please check the GROMACS
website at http://www.gromacs.org/Documentation/Errors

Please help me with error.

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