[gmx-users] [Fwd: question about the torsional potential]

manel.canales at upc.edu manel.canales at upc.edu
Sun Dec 21 00:24:28 CET 2008

Dear David

Thank you very much for your answer, but I'm interested to know what  
formula has been used in the case of the torsional potential:

1) V(fi) = k*(1+cos(n*fi-fi0))


2) V(fi) = k(1+cos(delta)*cos(n*fi))

If you do not knows this detail of the program. Could yo say me  
someone who knows this. Note that if I use the Ryckaert Bellemans  
potential I the same problem: I have three minima located at 180, 330  
and 60. And in my case I'm only interested to have two minima located  
at 163 and 17. Thank you very much for your attention.

Manel Canales

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