where the mmpbsa.in input file, is a text file containing the following lines:
Sample input file for GB calculation
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Sample input file for GB calculationThis input file is meant to show only that gmx_MMPBSA works. Although, we tried to use the input files as recommended in the Amber manual, some parameters have been changed to perform more expensive calculationsin a reasonable amount of time. Feel free to change the parameters according to what is better for your system.&generalsys_name="Complex_receptor",forcefields="oldff/leaprc.ff99SBildn",leaprc.gaff"PBRadii=4, ions_parameters=1/&gbigb=8, saltcon=0.150, intdiel=10/