[gmx-users] Tabulated non-bonded potential

ms devicerandom at gmail.com
Wed Nov 25 21:41:54 CET 2009

I have a further question about tabulated non-bonded potentials.

The manual (6.7.2) says:
"It is also possible to combine a standard Coulomb with a modified LJ
potential... The table file must always contain the 7 columns however,
and meaningful data (i.e. not zeroes) must be entered in all columns".

What's wrong with the zeroes? Is any other number valid (e.g. a column
of 1's?) What kind of "meaningful data" am I going to put in, if I will
not use them?



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