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<div id="divRpF621584" style="direction: ltr;"><span style="font-family: monospace;">Dear Gmx developers,</span></div>
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<span style="font-family:monospace; font-size:16px">I am trying to simulate a wall option using tabulated potentials option. But it gives different LJ potential values when I compare 12-6 potential with the tabulated potential (where the table was generated
using same sigma and epsilon values that were used for 12-6 potential). </span>
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<div><span style="font-family:monospace; font-size:16px">I intend to modify my table potential later so I wanted to make sure that it produces correct result. But my test shows that there is a difference between 12-6 and tabulated potentials for wall interaction.
Could you please explain what is the difference and how can I get the correct potential energy for tabulated potentials?</span><br style="font-family:monospace; font-size:16px">
<br style="font-family:monospace; font-size:16px">
<span style="font-family:monospace; font-size:16px">PS: In the manual, its written that both 9-3 and 10-4 are integrated over the surface area and 12-6 potential was applied directly with the z-distance. But how the tabulated potential is represented? (section
7.3.20)</span><br style="font-family:monospace; font-size:16px">
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Thank you very much for your time and support.</div>
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<span style="font-family:monospace; font-size:16px">Sincerely,</span><br style="font-family:monospace; font-size:16px">
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<span style="font-family:monospace; font-size:16px">Sudharsan</span><br style="font-family:monospace; font-size:16px">
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