[gmx-users] FENE potential
axk47 at psu.edu
Tue Dec 12 01:08:08 CET 2006
More than possible, it has already been done. Manual chapter 4.2.4,
page 51. And please give me a very good reason why I now picked up the
manual and looked for FENE, instead of you.
My bad... :-P I assumed someone would read the available documentation
resources before posting on this list. You'd think I'd learn, huh...
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.
the FENE potential has a form of VFENE = - k(R02/2)ln(1 - (r/R0)2), it is an anharmonic spring potential and has used extensiverly in coarse grains polymer models, it is harmonic only at the minimum
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!
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