[gmx-developers] Morse as non bonded (?)

[Marcelo A. Carignano]

Salut,

Morse potentials are implemented in gromacs as a bond type.
However, the potential has the interesting feature that allows an
independent control
of the depth, core size and range of the interactions (I need something
like that).
Therefore, using Morse potential as non-bonding will be useful for me,
and possible others.

The question is how difficult would be to modify the code, using as base
the Morse code
for bonds, to write a Morse code for non-bonding. I am willing to
attempt this, if I get some
general indications (I can use also very detailed indications) from
those of you who know
the code with sufficient detail to provide some advise.

I know that I can use the tables, but that is not the solution I am
looking for.

Many thanks,

Marcelo Carignano
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