[gmx-users] convert parameters of Buckingham potential to/from LJ potential

[Kan]

Dear gmx Users,

I am trying to convert parameters of Buckingham potential to/from LJ
potential. It seems that there is tool in Gromacs, g_sigeps which is capable
of doing this. However,when I typed the following command: "./sigeps_mpi
-nice 2   -A 6159492 -B 0.019891 -C 0.002692 -qi -1.041094 -qj -1.041094",
no output of LJ came out. Since there is no example availabe, I can not
figure out how to do it correctly. I would be thankful if anyone can help
me!

Best wishes,

Kan
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