Sample input file for PB calculationThis input file is meant to show only that gmx_MMPBSA works. Althought,we tried to used 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="SARS_CoV2_S1_ACE",/&pb#radiopt=0 is recommended which means using radii from the prmtop file for both the PB calculation and for the NP calculationistrng=0.15, fillratio=4.0, radiopt=0, inp=1,/