[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

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 DehghanPhD of BiochemistryInstitute of biochemistry and Biophysics
(IBB)University of Tehran, Tehran- Iran.*

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