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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