[gmx-users] free binding energy calculation
marzieh dehghan
dehghanmarzieh at gmail.com
Fri Nov 23 21:27:34 CET 2018
Dear all
I want to calculate free energy calculation under gromacs 5.1.4 and used
the following link
"*http://www.bevanlab.biochem.vt.edu/Pages/Personal/justin/gmx-tutorials/free_energy/04_EM.html
<http://www.bevanlab.biochem.vt.edu/Pages/Personal/justin/gmx-tutorials/free_energy/04_EM.html>"*
when I run ./job.sh, I confront to the following error:
* Right hand side '1.0' for parameter 'sc-power' in parameter file is not
an integer value *
please let me know how to solve this problem.
Thanks a lot
Marzieh
--
*Marzieh DehghanPhD of BiochemistryInstitute of biochemistry and Biophysics
(IBB)University of Tehran, Tehran- Iran.*
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