[gmx-users] gromacs 4.6.1 installation problem

Roshan Shrestha roshanpra at gmail.com
Tue Aug 18 03:51:34 CEST 2015


I am about to burst into tears now, since I am unable to get in touch with
you guys. My problem is regarding the installation of gromacs 4.6.1, I
followed exactly what was said in
https://rohitnarurkar.wordpress.com/2013/08/26/gromacs-installation-for-linux-users/
I followed with success till the last one,but when I typed grompp, it
showed error like Program grompp, VERSION 4.6.1 Source code file:
/home/roshan2004/Downloads/gromacs-4.6.1/src/gmxlib/futil.c, line: 593
File input/output error: grompp.mdp For more information and tips for
troubleshooting, please check the GROMACS website at
http://www.gromacs.org/Documentation/Errors with some information about
gromacs above, when I typed which mdrun Program mdrun, VERSION 4.6.1 Source
code file: /home/roshan2004/Downloads/gromacs-4.6.1/src/gmxlib/gmxfio.c,
line: 524
Can not open file: topol.tpr For more information and tips for
troubleshooting, please check the GROMACS website at
http://www.gromacs.org/Documentation/Errors So, clearly, there are some
errors, Now, how to fix this ?


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