Hi,<br /><br /> More than possible, it has already been done. Manual
chapter 4.2.4,<br /> page 51. And please give me a very good reason why I
now picked up the<br /> manual and looked for FENE, instead of you.<br
/><br />My bad... :-P I assumed someone would read the available
documentation<br />resources before posting on this list. You'd think
I'd learn, huh...<br /><br />Mark<br /><br />First of all in the gromacs
manual 3.2, that i have on page 51 there is the LJ and Buckingham
potential and in chapter 4.2.4 (page 58) the harmonic potential is
discussed, so page 51 and chapter 4.2.4 talk about different things. <br
/>Second<br />the FENE potential has a form of <em>V</em><sub>FENE</sub>
=
- <em>k</em>(<em>R</em><sub>0</sub><sup>2</sup>/2)ln(1 - (<em>r</em>/<em>R</em><sub>0</sub>)<sup>2</sup>), it is an anharmonic spring
potential and has used extensiverly in coarse grains polymer models, it is
harmonic only at the minimum<br />Third Mark and Tsjerk you must be more
careful, specific and polite in your answers you give, especially when you
don't know what you are talking about, not try to get rid of someone, make
sure first that you understand and have the right answer, otherwise it is
better not to answer!